Caffeine hydrochloride
CAS Registry Number®
5892-18-2
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CAS Name
Caffeine hydrochlorideMolecular Formula
C8H10N4O2.ClHCite 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 ) (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