N6-(Para-Nitrobenzyl)Adenine
[CAS# 5134-49-6]

Identification

• Name: N6-(Para-Nitrobenzyl)Adenine
• Synonyms: (4-Nitrobenzyl)-(7H-Purin-6-Yl)Amine; 1H-Purin-6-Amine, N-((4-Nitrophenyl)Methyl)-; 5-26-16-00155 (Beilstein Handbook Reference)
• Molecular Formula: C₁₂H₁₀N₆O₂
• Molecular Weight: 270.25
• CAS Registry Number: 5134-49-6
• SMILES: C3=C(CNC1=NC=NC2=C1[NH]C=N2)C=CC(=C3)[N+]([O-])=O
• InChI: 1S/C12H10N6O2/c19-18(20)9-3-1-8(2-4-9)5-13-11-10-12(15-6-14-10)17-7-16-11/h1-4,6-7H,5H2,(H2,13,14,15,16,17)
• InChIKey: AXYKSADFXHVJFP-UHFFFAOYSA-N

Properties

• Density: 1.557g/cm³ (Cal.)
• Boiling point: 630.076°C at 760 mmHg (Cal.)
• Flash point: 334.858°C (Cal.)