Xanthine amine congener

N-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide

CAS: 96865-92-8

Molecular Formula	`C21H28N6O4`
Molecular Weight	428.5 g/mol
LogP	2.7
Topological Polar Surface Area	134.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	10
Exact Mass	428.2172
Heavy Atoms	31
Complexity	639.0

Chemical Identifiers

CAS Number	96865-92-8
SMILES	`CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)OCC(=O)NCCN`
InChIKey	`FIQGIOAELHTLHM-UHFFFAOYSA-N`

📖 Product Overview

Xanthine amine congener (CAS: 96865-92-8) is a chemical compound with molecular formula C21H28N6O4 and molecular weight 428.5 g/mol. Its IUPAC systematic name is N-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide. LogP 2.7 Topological Polar Surface Area 134.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 6 Rotatable Bonds 10 Exact Mass 428.2172 Heavy Atoms 31 Complexity 639.0 InChI Key: FIQGIOAELHTLHM-UHFFFAOYSA-N. SMILES: CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)OCC(=O)NCCN.

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