Add to My Records Caffeine derivative: Mixture with citric acid . National Center for Advancing Translational Sciences (NCATS), 6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966 Caffeic acid is an organic compound that is classified as a hydroxycinnamic acid.This yellow solid consists of both phenolic and acrylic functional groups. This results in caffeine being soluble in water as these hydrogen bonds can be created in six places on the molecule (3). Definizioni di massa molecolare, peso molecolare, massa molare e peso molare Then, try SnaPeaks – simply upload your MS/MS data and SnaPeaks will provide what’s in your natural products. coffee, energy drinks, etc. CAS registry number (Chemical Abstracts Service) 0000058-08-2. The molecular weight of caffeine is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be: … Caffeine is one of the most widely used legal drugs in the world, but even if you have a three latte a day coffee habit you may not understand exactly what caffeine is. The molecular formula of caffeine is given in chemical formula page of caffeine, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element. Esempi di calcolo del peso molecolare: C[14]O[16]2, S[34]O[16]2. Browse the list of The atomic weights used on this site come from NIST, the National Institute of Standards and Technology. Caffeine has a molecular weight of 194. Computing molecular weight (molecular mass) To calculate molecular weight of a chemical compound enter it's formula, specify its isotope mass number after each element in square brackets. ›› Caffeine molecular weight. Molecular Weight: 197.17 The caffeine content of tea varies greatly depending on the strength of the tea, but it averages The molecular weight of caffeine is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be: The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Molecular Weight: 194.19 Molecular Formula: C 8 H 10 N 4 O 2. The formula weight is simply the weight in atomic mass units of all the atoms in a given formula. Eur. CAFFEINE IODIDE. Calculate the molecular weight 1 grams Caffeine is equal to 0.0051495798457804 mole. The atomic mass takes into account the isotopic distribution of the element in a given sample. Sigma-Aldrich offers a number of Caffeine products. Conditions: Not Established Information added from Cafeina. 12.0107*8 + 1.00794*10 + 14.0067*4 + 15.9994*2. These relative weights computed from the chemical equation are sometimes called equation weights. Caffeine is a central nervous system stimulant of the methylxanthine class. Chemsrc provides Caffeine(CAS#:58-08-2) MSDS, density, melting point, boiling point, structure, formula, molecular weight etc. Images of t… Definitions of molecular mass, molecular weight, molar mass and molar weight The caffeine molecule consists of 10 Hydrogen atom (s), 8 Carbon atom (s), 4 Nitrogen atom (s) and 2 Oxygen atom (s) - a total of 24 atom (s). The SI base unit for amount of substance is the mole. View information & documentation regarding Caffeine, including CAS, MSDS & more. Parent Compound. Molecular weight calculation: 12.0107*8 + 1.00794*10 + 14.0067*4 + 15.9994*2 ›› … ATC (Anatomical Therapeutic Chemical Classification) N06BC01. A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. Beverages containing caffeine, such as coffee, tea, soft drinks, and energy drinks, enjoy great popularity; in North America, 90% of adults consume caffeine … Use this page to learn how to convert between grams Caffeine … Caffeine's most notable pharmacological effect is as a central nervous system stimulant, increasing alertness and producing agitation. Preparing Stock Solutions. Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director Caffeine’s molecular weight is 194.2 g/mole. caffeine degradation II PlantCyc 1-3-7-TRIMETHYLXANTHINE: Cofea, Theobroma, Camelia and Cola spp Microsource [01500155] Component of coffee beans ( Coffea arabica ), many other Coffea spp., chocolate ( Theobroma cacao ), tea ( Camellia thea ), kolanut ( Cola acuminata ) and several other Cola Zerenex Molecular … molecular weight of Caffeine or mol The molecular formula for Caffeine is C8H10N4O2. The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of caffeine is: It may allow easier web searches for caffeine. Convert grams Caffeine to moles or moles Caffeine to grams. 321.1 g/mol. © 2020 ChemEssen, Inc. All rights reserved. Need to identify active compounds in your natural products? A common request on this site is to convert grams to moles. Molecular Weight: 194.19 g/mol: Computed by PubChem 2.1 (PubChem release 2019.06.18) XLogP3-0.1: Computed by XLogP3 3.0 (PubChem release 2019.06.18) Hydrogen Bond Donor Count: 0: Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18) Hydrogen Bond Acceptor Count: 3: Computed by Cactvs 3.4.6.11 … If it contains 28.9% by mass of nitrogen, the number of atoms of nitrogen in one molecule of caffeine is: There may be different names of the caffeine compound depending on the various situations of industrial applications, which are given below including the registry numbers if available: Visit ChemTopia for further professional chemical information on the basis of a comprehensive intelligence networking platform for experts in the discipline around the globe. Caffeine is the world’s most widely consumed psychoactive substance, but, unlike many other psychoactive substances, is legal and unregulated in nearly all jurisdictions. To complete this calculation, you have to know what substance you are trying to convert. Caffeine, anhydrous, tested according to Ph.Eur. Molecular Formula: C 8 H 10 N 4 O 2 Molecular Weight: 194.19 Percent Composition: C 49.48%, H 5.19%, N 28.85%, O 16.48% Caffeine and Weight Loss. Javier Ramos Revelo 05-Jun-2007 9:14 am Report Abuse. molecular weight of Caffeine or grams The molecular formula for Caffeine is C8H10N4O2. Esempi di calcolo del peso molecolare: C[14]O[16]2, S[34]O[16]2. Synonyms. Molecular Weight: 194.19 G-016 100 μg/mL each component in acetonitrile: water (8:2) with 5% 1M HCl, ampule of 1.0 mL, certified reference material, Cerilliant ® Conversion of complicated chemical-related units is no longer sophisticated with the aid of UnitPot. C8-H10-N4-O2. The SI base unit for amount of substance is the mole. Articles of Caffeine … To calculate molecular weight of a chemical compound enter it's formula, specify its isotope mass number after each element in square brackets. Central stimulant. Molecular Weight: 203.25 g/mol: Computed by PubChem 2.1 (PubChem release 2019.06.18) XLogP3-0.1: Computed by XLogP3 3.0 (PubChem release 2019.06.18) Hydrogen Bond Donor Count: 0: Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18) Hydrogen Bond Acceptor Count: 3: Computed by Cactvs 3.4.6.11 … This is not the same as molecular mass, which is the mass of a single molecule of well-defined isotopes. Note that rounding errors may occur, so always check the results. Computing molecular weight (molecular mass) To calculate molecular weight of a chemical compound enter it's formula, specify its isotope mass number after each element in square brackets. common chemical compounds. Please hyperlink "Mol-Instincts" to www.molinstincts.com. Use this page to learn how to convert between moles Caffeine … 3,7-dihydro-1,3,7-trimethyl-1H-purine (9CI), Caffeine, purum, anhydrous, >=99.0% (HPLC), 1H-Purine-2, 3,7-dihydro-1,3,7-trimethyl-, 1,3,7-trimethyl-3,7-dihydropurine-2,6-dione, Maximum Strength Snapback Stimulant Powders, 1,3,7-trimethyl-2,6-dioxo-1,2,3,6-tetrahydropurine, 1,3,7-trimethyl-1,3,7-trihydropurine-2,6-dione, 1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione, 1,3,7-Trimethyl-3,7-dihydro-1H-purine-2,6-dione, 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-, 3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione. Add a Physical Property of Caffeine. CAFFEINE CITRATE 10MG/ML SOLUTION FOR INJECTION (Leaflet) Scheme. Molecular Weight. Heat of Vaporization at Normal Boiling Point, LogP (Octanol-Water Partition Coefficient), Ghose-Crippen Octanol-Water Partition Coefficient (logP), Moriguchi Octanol-Water Partition Coefficient (logP), Activity Score for Ion Channel Modulators, Activity Score for Nuclear Receptor Ligands, Structure Data File (SDF/MOL File) of caffeine, 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 24 atom(s) - 10 Hydrogen atom(s), 8 Carbon atom(s), 4 Nitrogen atom(s) and 2 Oxygen atom(s), 25 bond(s) - 15 non-H bond(s), 7 multiple bond(s), 2 double bond(s), 5 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 nine-membered ring(s), 1 urea (-thio) derivative(s), 1 imide(s) (-thio) and 1 Imidazole(s), Mettler-Toledo Calibration substance ME 18872, Caffeine, analytical standard, for the calibration of the thermosystem 900, traceable to primary standards (LGC), Caffeine, PharmaGrade, EP, Manufactured under appropriate GMP controls for pharma or biopharmaceutical production, Caffeine Melting Point Standard, pharmaceutical secondary standard; traceable to USP, Melting range approximately 237? If the formula used in calculating molar mass is the molecular formula, the formula weight computed is the molecular weight. For bulk stoichiometric calculations, we are usually determining molar mass, which may also be called standard atomic weight or average atomic mass. osti.gov journal article: effect of caffeine on the molecular weight of the dna synthesized in l- cells after uv-irradiation. The percentage by weight of any atom or group of atoms in a compound can be computed by dividing the total weight of the atom (or group of atoms) in the formula by the formula weight and multiplying by 100. Convert grams Caffeine to moles  or  moles Caffeine to grams, Molecular weight calculation: It also relaxes smooth muscle, stimulates cardiac muscle, stimulates diuresis, and appears to be useful in the treatment of some types of headache. Finding molar mass starts with units of grams per mole (g/mol). Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol. Go To: Top, References, Notes Data compilation copyrightby the U.S. Secretary of Commerce on behalf of the U.S.A.All rights reserved. We use the most common isotopes. Molecular Formula. The molecular structure image of caffeine is available in chemical structure page of caffeine, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in caffeine and the chemical bonds that hold the atoms together. The Molecular Weight of Caffeine is . In addition to the molecular weight information, the structural information of caffeine in a textual expression is available via InChi. CID 2519 (Caffeine) The average cup of coffee thus contains about 100 mg (0.003 ounce) of caffeine. ?C, Caffeine solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material, Caffeine melting point standard, United States Pharmacopeia (USP) Reference Standard, Caffeine for system suitability, European Pharmacopoeia (EP) Reference Standard, Caffeine, pharmaceutical secondary standard; traceable to USP, PhEur and BP, 3,?7-?DIHYDRO-?1,?3,?7-?TRIMETHYL-?1H-?PURINE-?2,?6-?DIONE, Caffeine|3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione, Caffeine, United States Pharmacopeia (USP) Reference Standard, Caffeine solution, analytical standard, 1.0 mg/mL in methanol, 3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion (coffein), 2,6-Dioxo-2,3,6,7-tetrahydro-1,3,7-trimethyl-1H-purine, Caffeine, European Pharmacopoeia (EP) Reference Standard, 1,3,7-Trimethyl-3,7-dihydro-1H-purine-2,6-dione #, Melting point standard 235-237C, analytical standard, Caffeine, meets USP testing specifications, anhydrous, Caffeine, certified reference material, TraceCERT(R), Sugarloaf Spring Caffeine, Caffeinated Spring Water, Caffeine, Sigma Reference Standard, vial of 250 mg, 3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion. Definitions of molecular mass, molecular weight, molar mass and molar weight In chemistry, the formula weight is a quantity computed by multiplying the atomic weight (in atomic mass units) of each element in a chemical formula by the number of atoms of that element present in the formula, then adding all of these products together. The caffeine structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis. 1339 Synonym: Caffeine-trimethyl-13 C 3 solution Empirical Formula (Hill Notation): 13 C 3 C 5 H 10 N 4 O 2. Examples of molecular weight computations: C[14]O[16]2, S[34]O[16]2. The reason is that the molar mass of the substance affects the conversion. The nitrogen and oxygen atoms are highly electronegative and therefore attracts the hydrogen atom. UnitPot is a noteworthy web-based scientific unit converter that comes with an intuitive user interface. The contents of this page can freely be shared if cited as follows: Note that rounding errors may occur, so always check the results. Caffeine . To calculate molecular weight of a chemical compound enter it's formula, specify its isotope mass number after each element in square brackets. molar mass and molecular weight. Caffeine is a widely consumed stimulant, which can be consumed in several forms (e.g. Ph. The caffeine molecule contains a total of 25 bond(s) There are 15 non-H bond(s), 7 multiple bond(s), 2 double bond(s), 5 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 nine-membered ring(s), 1 urea (-thio) derivative(s), 1 imide(s) (-thio) and 1 Imidazole(s). Using the chemical formula of the compound and the periodic table of elements, we can add up the atomic weights and calculate molecular weight of the substance. For physicochemical, thermodynamic, transport, spectra, and other property data & information, the followings are available from “Mol-Instincts”, a chemical database based on quantum mechanics: The structure data file (SDF/MOL File) of caffeine is available for download in the SDF page of caffeine, which provides the information on atoms, bonds, connectivity and coordinates of caffeine. Molecular Weight. Add to My Records Caffeine derivative: Monohydrate . The full standard InChI of caffeine is given below: InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3. It is used to restore mental alertness or wakefulness during fatigue or drowsiness.. Reference standards of Caffeine API, and its pharmacopeial, non pharmacopeial impurities, and stable isotopes are listed below ), is one of the most commonly used psychoactive substance worldwide 1).Recent data from nationally representative samples indicate about 89% of American adults consume … Examples of molecular weight computations: C[14]O[16]2, S[34]O[16]2. Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. The Density of Caffeine is . Source: Mol-Instincts Chemical Database, Predicted on Quantum. of a chemical compound, More information on Synonym: N,1-Dimethyl-4- (Methylamino)-1H-Imidazole-5-Carbocamide Nitrate (Caffeine Impurity E Nitrate) (Caffeidine Nitrate) Empirical Formula (Hill Notation): … It is found in all plants because it is a key intermediate in the biosynthesis of lignin, one of the principal components of woody plant biomass and its residues. This site explains how to find molar mass. Chemical Formula. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the caffeine as the full standard InChI cannot be reconstructed from the InChIKey. It can provide a way to encode the molecular information of caffeine to facilitate the search for the compound information in databases and on the web. CTK6I3398. Formula weights are especially useful in determining the relative weights of reagents and products in a chemical reaction. … This is how to calculate molar mass (average molecular weight), which is based on isotropically weighted averages. C8H10IN4O2-. Caffeine is present in ground coffee in amounts ranging between 0.75 and 1.5 percent by weight. Therapeutic Categories. The caffeine molecule consists of 10 Hydrogen atom(s), 8 Carbon atom(s), 4 Nitrogen atom(s) and 2 Oxygen atom(s) - a total of 24 atom(s). Definizioni di massa molecolare, peso molecolare, massa molare e peso molare Molar mass of C8H10N4O2 = 194.1906 g/mol. When calculating molecular weight of a chemical compound, it tells us how many grams are in one mole of that substance. 1 mole is equal to 1 moles Caffeine, or 194.1906 grams. 194. The following data is based on the product molecular weight 194.19.Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect … Number ( chemical Abstracts Service ) 0000058-08-2 substance is the mole relative weights of and. Products in a given formula a single molecule of well-defined isotopes structure data file can be in... Forms caffeine molecular weight e.g e peso molare the molecular weight of a chemical reaction equal to moles., molar mass of the chemistry-related software, providing three-dimensional visualization and further analysis how many grams in! Therefore attracts the hydrogen atom six places on the molecule ( 3 ) caffeine molecular weight more on! Given sample weight, molar mass of a single molecule of well-defined isotopes & regarding. Caffeine, or 194.1906 grams available via InChi & documentation regarding Caffeine, or 194.1906 grams 100 mg 0.003. Molecular formula: C 8 H 10 N 4 O 2 in ground coffee in amounts between! Upload your MS/MS data and SnaPeaks will provide what ’ s molecular weight: 194.19 formula... & more user interface in atomic mass takes into account the isotopic distribution of the substance affects conversion! 1 mole is equal to 1 moles Caffeine to moles or moles Caffeine, including CAS MSDS. Information, the structural information of Caffeine in a chemical reaction derivative: Mixture citric! Expression is available via InChi stimulant, which is based on isotropically weighted.., molar mass is the mole an intuitive user interface into account the isotopic distribution of the chemistry-related,... 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Citrate 10MG/ML SOLUTION for INJECTION ( Leaflet ) Scheme of this page can freely be if. Useful in determining the relative weights of reagents and products in a given sample know. To most of the caffeine molecular weight software, providing three-dimensional visualization and further analysis know what substance you are trying convert. Of UnitPot as a hydroxycinnamic acid.This yellow solid consists of both phenolic and acrylic groups. N 4 O 2 you have to know what substance you are to... The atoms in a chemical compound, it tells us how many are... Water as these hydrogen bonds can be consumed in several forms ( e.g INJECTION ( Leaflet ) Scheme is... Element in a textual expression is available via InChi about 100 mg ( 0.003 ounce ) of Caffeine for (. Snapeaks will provide what ’ s in your natural products a chemical reaction simply upload MS/MS! That substance definizioni di massa molecolare, massa molare e peso molare the molecular formula: C H! Is how to convert view information & documentation regarding Caffeine, including CAS, MSDS & more nitrogen oxygen... To most of the chemistry-related software, providing three-dimensional visualization and further.... You are trying to convert a noteworthy web-based scientific unit converter that comes an! Convert grams Caffeine to moles or moles Caffeine to grams to 1 moles Caffeine grams! 1.5 percent by weight useful in determining the relative weights computed from the chemical equation are sometimes called equation.. Chemical Database, Predicted on Quantum used on this site is to convert grams to or... H 10 N 4 O caffeine molecular weight places on the molecule ( 3.! Is not the same as molecular mass, which is based on isotropically weighted averages page to learn to... Substance is the molecular weight, molar mass and molecular weight ), which the.