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Caffeine is a naturally occurring chemical stimulant called trimethylxanthine. Its chemical formula is C8H10N4O2 (see Erowid: Caffeine Chemistry for an image of the molecular structure). It is a drug, and actually shares a number of traits with more notorious drugs such as amphetamines, cocaine and heroin.affeine is a naturally occurring chemical stimulant called trimethylxanthine. Its chemical formula is C8H10N4O2 (see Erowid: Caffeine Chemistry for an image of the molecular structure). It is a drug, and actually shares a number of traits with more notorious drugs such as amphetamines, cocaine and heroin.
Caffeine can be classified as an alkaloid, a term used for substances produced as end products of nitrogen metabolism in some plants. The chemical formula is C 8 H 10 N 4 O 2. Caffeine has a molar mass of 194.19 grams (6.85 ounces). It is soluble in water and in many organic solvents, and it appears in pure form as white crystals. Caffeine can be prepared by extraction from natural sources or by synthesis from uric acid.