1,3-dimethyl-7H-purine-2,6-dione;2-hydroxyethyl(trimethyl)azanium

Also Known As: Cholinophylline, Oxtrimethylline, Cholinophyllin, Soliphylline, Teofilcolina, Theoxylline, Choledyl, Cholegyl, Teokolin, Filoral, Sabidal, Brondecon, Mixture Name, OXTRIPHYLLINE, Colina teofillinato

CAS: 4499-40-5

Molecular Formula	`C12H22N5O3+`
Molecular Weight	284.17227 g/mol
LogP	-1.35
Topological Polar Surface Area	92.91 Å²
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	2
Exact Mass	284.17227
Heavy Atoms	20
Complexity	689

Chemical Identifiers

CAS Number	4499-40-5
SMILES	`CN1C2=C(C(=O)N(C1=O)C)NC=N2.C[N+](C)(C)CCO`

Product Overview

1,3-dimethyl-7H-purine-2,6-dione;2-hydroxyethyl(trimethyl)azanium (CAS 4499-40-5), with molecular formula C12H22N5O3+ and molecular weight 284.17227 g/mol. IUPAC: 1,3-dimethyl-7H-purine-2,6-dione;2-hydroxyethyl(trimethyl)azanium.

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