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3,7-Dihydro-1,3,7-Trimethyl-1H-Purine-2,6-Dione Monohydrochloride
[CAS# 5892-18-2]

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Identification
Name 3,7-Dihydro-1,3,7-Trimethyl-1H-Purine-2,6-Dione Monohydrochloride
Synonyms 1,3,7-Trimethylpurin-7-Ium-2,6-Quinone Chloride; 3,7-Dihydro-1,3,7-Trimethyl-1H-Purine-2,6-Dione Monohydrochloride; Caffeine Hydrochloride
Molecular Structure CAS#: 5892-18-2, 3,7-Dihydro-1,3,7-Trimethyl-1H-Purine-2,6-Dione Monohydrochloride
Molecular Formula C8H11ClN4O2
Molecular Weight 230.65
CAS Registry Number 5892-18-2
EINECS 227-570-5
SMILES C[NH+]2C1=C(N(C(N(C1=O)C)=O)C)N=C2.[Cl-]
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 VDHPYBVMFNLZQG-UHFFFAOYSA-N
Properties
Boiling point 435.3°C at 760 mmHg (Cal.)
Flash point 217°C (Cal.)
Market Analysis Reports
List of Reports Available for 3,7-Dihydro-1,3,7-Trimethyl-1H-Purine-2,6-Dione Monohydrochloride
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