Caffeine hydrochloride

CAS Registry Number®

5892-18-2

CAS Name

Caffeine hydrochloride

Molecular Formula

C8H10N4O2.ClH

Cite this Page

Caffeine hydrochloride.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5892-18-2 (retrieved 2025-01-30) (CAS RN: 5892-18-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C8H10N4O2.ClH/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;/h4H,1-3H3;1H

InChIKey

InChIKey=VDHPYBVMFNLZQG-UHFFFAOYSA-N

SMILES

O=C1C2=C(N(C)C(=O)N1C)N=CN2C.Cl

Canonical SMILES

Cl.O=C1C2=C(N=CN2C)N(C(=O)N1C)C

Other Names for this Substance

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-, hydrochloride (1:1)
  • Caffeine, monohydrochloride
  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-, monohydrochloride
  • Caffeine hydrochloride
  • 3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione monohydrochloride