aminophylline

bis(1,3-dimethyl-7H-purine-2,6-dione);ethane-1,2-diamine

CAS: 317-34-0

Molecular Formula	`C16H24N10O4`
Molecular Weight	420.43 g/mol
Topological Polar Surface Area	191.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	8
Rotatable Bonds	1
Exact Mass	420.1982
Heavy Atoms	30
Complexity	273.0

Chemical Identifiers

CAS Number	317-34-0
SMILES	`CN1C2=C(C(=O)N(C1=O)C)NC=N2.CN1C2=C(C(=O)N(C1=O)C)NC=N2.C(CN)N`
InChIKey	`FQPFAHBPWDRTLU-UHFFFAOYSA-N`

📖 Product Overview

aminophylline (CAS: 317-34-0) is a chemical compound with molecular formula C16H24N10O4 and molecular weight 420.43 g/mol. Its IUPAC systematic name is bis(1,3-dimethyl-7H-purine-2,6-dione);ethane-1,2-diamine. Topological Polar Surface Area 191.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 8 Rotatable Bonds 1 Exact Mass 420.1982 Heavy Atoms 30 Complexity 273.0 InChI Key: FQPFAHBPWDRTLU-UHFFFAOYSA-N. SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2.CN1C2=C(C(=O)N(C1=O)C)NC=N2.C(CN)N.

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