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Caffeine is similar in chemical structure to [Theophylline] and [Theobromine]. It can be sourced from coffee beans, but also occurs naturally in various teas and cacao beans, which are different than coffee beans.
Molecular weight: 194.1906 IUPAC Standard InChI: InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 Copy IUPAC Standard InChIKey: RYYVLZVUVIJVGH-UHFFFAOYSA-N Copy
ChemSpider record containing structure, synonyms, properties, vendors and database links for Caffeine, 58-08-2, guaranine.
The caffeine molecule is structurally similar to adenosine, and is capable of binding to adenosine receptors on the surface of cells without activating them, thereby acting as a competitive antagonist.
With a molecular formula of C8H10N4O2 and a molar mass of 194.194 g/mol, caffeine is made up of carbon, hydrogen, nitrogen, and oxygen atoms arranged in a specific way to give it its unique properties.
The molecular structure of caffeine. Caffeine belongs to the family of heterocyclic compounds known as purines. It has the systematic name 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione; it is also known as 1,3,7-trimethylxanthine, and 1,3,7-trimethyl-2,6-dioxopurine.
Caffeine. Formula: C 8 H 10 N 4 O 2. Molecular weight: 194.1906. IUPAC Standard InChI:InChI=1S/C8H10N4O2/c1-10-4-9-6-5 (10)7 (13)12 (3)8 (14)11 (6)2/h4H,1-3H3 Copy. IUPAC Standard InChIKey:RYYVLZVUVIJVGH-UHFFFAOYSA-N Copy. CAS Registry Number: 58-08-2.