CAFFEINE HYDROCHLORIDE

Molecular Formula: C8H11ClN4O2


InChI: InChI=1/C8H10N4O2.ClH/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;/h4H,1-3H3;1H/fC8H11N4O2.Cl/h10H;1h/q+1;-1

InChIKey: InChIKey=VDHPYBVMFNLZQG-QYCSZHPWCI
SMILES: C[NH+]1C=NC2=C1C(=O)N(C(=O)N2C)C.[Cl-]

Names:
    CAFFEINE HYDROCHLORIDE
    Caffeine monohydrochloride (8CI)
    Caffeine, hydrochloride
    EINECS 227-570-5
    1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-, monohydrochloride (9CI)
    1,3,7-trimethylpurine-2,6-dione chloride
    3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione monohydrochloride
    5892-18-2

Registries:
    PubChem CID 22181
    PubChem ID 164854