Chemical Compound

Caffeine-d9

CAS Registry Number 72238-85-8
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Caffeine-d9 chemical structure
Primary Record

Caffeine-d9

In stock
3,819 g
Purity
98.3 %
CAS
72238-85-8

Compound Identifiers & Properties

CAS
72238-85-8
PubChem CID
118797519
SMILES
[2H]C([2H])([2H])N1C2=NC=[N+](C2C(=O)N(C1=O)C([2H])([2H])[2H])C([2H])([2H])[2H]
Canonical SMILES
[2H]C([2H])([2H])N1C(=O)C2C(=NC=[N+]2C([2H])([2H])[2H])N(C([2H])([2H])[2H])C1=O

Names & Synonyms

  • Caffeine-d9
  • Caffeine-d9 (1,3,7-trimethyl-d9)
  • 72238-85-8