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C₈H₁₀N₄O₂

Caffeine

IUPAC : Caffeine
OrganicBiologicalFoodPharmaceuticalEveryday

The most consumed stimulant purine alkaloid in the world. Present in coffee, tea, cocoa, guarana and energy drinks. Acts as an antagonist of brain adenosine receptors, reducing drowsiness.

3D ball-and-stick representation of Caffeine (formula C₈H₁₀N₄O₂). Constituent atoms: C, H, N, O.
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Physical properties

Molar mass194.19 g/mol
State at 20 °Csolid
Density1.23 g/cm³
Melting point509.15 K (236 °C)
Boiling point—
Solubility (H₂O)2.2 g/100 mL à 25 °C

Structure

Crystal system—
3D render modeBall-and-stick

Uses and applications

  • Central nervous system stimulant (coffee, tea, energy drinks)
  • Medication (neonatal apnoea, combined with analgesics)
  • Flavouring and food additive
  • Cosmetics (anti-cellulite, anti-dark-circle creams)
  • Biochemical research (phosphodiesterase inhibitor)

Safety (GHS)

GHS07 · Harmful / irritant
H statements : H302

Harmful at high dose (lethal dose ~10 g in adults). Common coffee doses (100–400 mg/day) are safe for most adults.

Constituent elements

6C
Carbon
1H
Hydrogen
7N
Nitrogen
8O
Oxygen

References

PubChem CID2519
CAS58-08-2
SMILESCN1C=NC2=C1C(=O)N(C(=O)N2C)C
Sources : PubChem CID 2519 · NIST Chemistry WebBook