1,3-dimethyl-8-[(4-methylpiperidin-1-yl)diazenyl]-7H-purine-2,6-dione

Also Known As: NCIOpen2_008247|Theophylline, 8-(4-methylpiperidinoazo)-|8-(4-METHYLPIPERIDIN-1-YLAZO)THEOPHYLLINE

CAS: 73908-80-2

Molecular Formula	`C13H19N7O2`
Molecular Weight	305.16003 g/mol
LogP	0.69
Topological Polar Surface Area	100.64 Å²
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	2
Exact Mass	305.16003
Heavy Atoms	22
Complexity	836.4

Chemical Identifiers

CAS Number	73908-80-2
SMILES	`CC1CCN(CC1)N=NC2=NC3=C(N2)C(=O)N(C(=O)N3C)C`

Product Overview

1,3-dimethyl-8-[(4-methylpiperidin-1-yl)diazenyl]-7H-purine-2,6-dione (CAS 73908-80-2), with molecular formula C13H19N7O2 and molecular weight 305.16003 g/mol. IUPAC: 1,3-dimethyl-8-[(4-methylpiperidin-1-yl)diazenyl]-7H-purine-2,6-dione.

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