CAFFEINE, 8-(p-AMINOBENZYL)-

8-[(4-aminophenyl)methyl]-1,3,7-trimethylpurine-2,6-dione

CAS: 5426-89-1

Molecular Formula	`C15H17N5O2`
Molecular Weight	299.33 g/mol
LogP	0.8
Topological Polar Surface Area	84.5 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	2
Exact Mass	299.1382
Heavy Atoms	22
Complexity	463.0

Chemical Identifiers

CAS Number	5426-89-1
SMILES	`CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC3=CC=C(C=C3)N`
InChIKey	`OSKJFYYILYDPAQ-UHFFFAOYSA-N`

📖 Product Overview

CAFFEINE, 8-(p-AMINOBENZYL)- (CAS: 5426-89-1) is a chemical compound with molecular formula C15H17N5O2 and molecular weight 299.33 g/mol. Its IUPAC systematic name is 8-[(4-aminophenyl)methyl]-1,3,7-trimethylpurine-2,6-dione. LogP 0.8 Topological Polar Surface Area 84.5 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 2 Exact Mass 299.1382 Heavy Atoms 22 Complexity 463.0 InChI Key: OSKJFYYILYDPAQ-UHFFFAOYSA-N. SMILES: CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC3=CC=C(C=C3)N.

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