3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione monohydrochloride

Name: 3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione monohydrochloride
Brand: CoreyChem
SKU: CAS:5892-18-2
Price: Contact for pricing USD
Availability: InStock

1,3,7-trimethyl-7H-purin-7-ium-2,6-dione chloride

Also Known As: Caffeine, hydrochloride, Caffeine monohydrochloride, EINECS 227-570-5, Caffeine monohydrochloride (8CI), 3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione monohydrochloride, 1,3,7-trimethyl-7H-purin-7-ium-2,6-dione;chloride, 1,3,7-trimethyl-7H-purin-7-ium-2,6-dione chloride, 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-, monohydrochloride

CAS: 5892-18-2

Molecular Formula	`C8H11ClN4O2`
Molecular Weight	230.05705 g/mol
LogP	-5.09
Topological Polar Surface Area	60.8 Å²
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	0
Exact Mass	230.05705
Heavy Atoms	15
Complexity	542

Chemical Identifiers

CAS Number	5892-18-2
SMILES	`C[NH+]1C=NC2=C1C(=O)N(C(=O)N2C)C.[Cl-]`

Product Overview

3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione monohydrochloride (CAS 5892-18-2), with molecular formula C8H11ClN4O2 and molecular weight 230.05705 g/mol. IUPAC: 1,3,7-trimethyl-7H-purin-7-ium-2,6-dione chloride.

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