These relative weights computed from the chemical equation are sometimes called equation weights. Then, try SnaPeaks – simply upload your MS/MS data and SnaPeaks will provide what’s in your natural products. Caffeine is the world’s most widely consumed psychoactive substance, but, unlike many other psychoactive substances, is legal and unregulated in nearly all jurisdictions. Definizioni di massa molecolare, peso molecolare, massa molare e peso molare This is how to calculate molar mass (average molecular weight), which is based on isotropically weighted averages. For bulk stoichiometric calculations, we are usually determining molar mass, which may also be called standard atomic weight or average atomic mass. Esempi di calcolo del peso molecolare: C[14]O[16]2, S[34]O[16]2. Molecular Weight. The average cup of coffee thus contains about 100 mg (0.003 ounce) of caffeine. In addition to the molecular weight information, the structural information of caffeine in a textual expression is available via InChi. Central stimulant. Need to identify active compounds in your natural products? If the formula used in calculating molar mass is the molecular formula, the formula weight computed is the molecular weight. A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The caffeine structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis. A common request on this site is to convert grams to moles. Molar mass of C8H10N4O2 = 194.1906 g/mol. Add a Physical Property of Caffeine. 1 mole is equal to 1 moles Caffeine, or 194.1906 grams. 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. Parent Compound. Examples of molecular weight computations: C[14]O[16]2, S[34]O[16]2. Finding molar mass starts with units of grams per mole (g/mol). Molecular Formula. 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 formula weight is simply the weight in atomic mass units of all the atoms in a given formula. 12.0107*8 + 1.00794*10 + 14.0067*4 + 15.9994*2. ATC (Anatomical Therapeutic Chemical Classification) N06BC01. C8-H10-N4-O2. Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. 194. ?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. Caffeine . Please hyperlink "Mol-Instincts" to www.molinstincts.com. 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% Definitions of molecular mass, molecular weight, molar mass and molar weight Javier Ramos Revelo 05-Jun-2007 9:14 am Report Abuse. The SI base unit for amount of substance is the mole. 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 The caffeine content of tea varies greatly depending on the strength of the tea, but it averages Caffeine’s molecular weight is 194.2 g/mole. 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. 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. View information & documentation regarding Caffeine, including CAS, MSDS & more. Images of t… © 2020 ChemEssen, Inc. All rights reserved. Articles of Caffeine … Caffeine has a molecular weight of 194. The Density of Caffeine is . Conversion of complicated chemical-related units is no longer sophisticated with the aid of UnitPot. Convert grams Caffeine to moles or moles Caffeine to grams. 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. If it contains 28.9% by mass of nitrogen, the number of atoms of nitrogen in one molecule of caffeine is: 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? The nitrogen and oxygen atoms are highly electronegative and therefore attracts the hydrogen atom. Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director Caffeine is a central nervous system stimulant of the methylxanthine class. Note that rounding errors may occur, so always check the results. 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 ® 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 … ›› Caffeine molecular weight. Synonyms. 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 … Esempi di calcolo del peso molecolare: C[14]O[16]2, S[34]O[16]2. The atomic weights used on this site come from NIST, the National Institute of Standards and Technology. Calculate the molecular weight We use the most common isotopes. The reason is that the molar mass of the substance affects the conversion. Browse the list of Molecular Weight: 197.17 … Note that rounding errors may occur, so always check the results. 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. Therapeutic Categories. 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. Add to My Records Caffeine derivative: Monohydrate . 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). 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. When calculating molecular weight of a chemical compound, it tells us how many grams are in one mole of that substance. Use this page to learn how to convert between moles Caffeine … 321.1 g/mol. CAFFEINE CITRATE 10MG/ML SOLUTION FOR INJECTION (Leaflet) Scheme. Synonym: Caffeine-trimethyl-13 C 3 solution Empirical Formula (Hill Notation): 13 C 3 C 5 H 10 N 4 O 2. Sigma-Aldrich offers a number of Caffeine products. Caffeine, anhydrous, tested according to Ph.Eur. This results in caffeine being soluble in water as these hydrogen bonds can be created in six places on the molecule (3). C8H10IN4O2-. molecular weight of Caffeine or grams The molecular formula for Caffeine is C8H10N4O2. Ph. Examples of molecular weight computations: C[14]O[16]2, S[34]O[16]2. CAFFEINE IODIDE. Molecular Weight. common chemical compounds. 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. Formula weights are especially useful in determining the relative weights of reagents and products in a chemical reaction. molecular weight of Caffeine or mol The molecular formula for Caffeine is C8H10N4O2. This site explains how to find molar mass. Caffeine is present in ground coffee in amounts ranging between 0.75 and 1.5 percent by weight. To calculate molecular weight of a chemical compound enter it's formula, specify its isotope mass number after each element in square brackets. 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. 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. 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