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SHEET /m/caffeine · PubChem CID 2519 · CAS 58-08-2 · REV 2026.07

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Caffeine

from source

C8H10N4O2 · 194.19 g/mol

guaranine · methyltheobromine · theine · teína

What is Caffeine?

The molecule behind coffee's lift: it keeps you feeling alert by getting in the way of your brain's own sleepiness signal. Found in coffee, tea, chocolate, cocoa, and soft drinks. from source

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Fig. 1 · 2D structure RDKit

SMILESCN1C=NC2=C1C(=O)N(C(=O)N2C)C

Where you'll find it

Curated by MoleculeFinder from source

Still in the system computed

For a typical adult, Caffeine clears on a half-life of about 5 h: every 5 hours, half of what is left is gone. Try an amount:

95 mg left
100% of the 95 mg remains

An illustration of half-life, not a prediction of anyone's level.

The dose makes the poison inferred

A reported rat oral LD50 for Caffeine is 192 mg/kg, the dose lethal to half the animals tested. Scaled by body mass alone:

13.4 g ≈ 141 cups
a median lethal dose scaled to 154 lb (13,440 mg)

“The dose makes the poison” is a cross-species estimate shown as neutral science, not a threshold anyone should act on. Real toxicity depends on the person, not body mass alone.

Signature properties

Half-life5 hfrom source

Toxicity & hazards

Toxicity · LD50

192 mg/kg · moderately toxic · LD50 rat oral from source

The dose lens above scales this to a body weight.

4 more reported values
  • 127 mg/kgLD50 · oral · mouse
  • 105 mg/kgLD50 · iv · rat
  • 260 mg/kgLD50 · other · rat
  • 300 mg/kgLD50 · other · rat
DangerToxicIrritantHealth hazardH301, H302, H332, H360from source

Keep roaming

Where Caffeine leads

Compare with

Caffeine is the world's most widely used psychoactive drug, and the only one routinely served to children (as chocolate) and at the breakfast table.

Sources & methodology

PubChem CID
2519
Wikidata
Q60235
Structure
PubChem → RDKit
LD50
PubChem
Half-life
MoleculeFinder curated
Similar molecules
MoleculeFinder fingerprint similarity
Everyday relationships
MoleculeFinder editorial curation
Data refreshed

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