9-[(4-Nitrophenyl)Methyl]Purin-6-Amine
[CAS# 73215-03-9]

Identification

• Name: 9-[(4-Nitrophenyl)Methyl]Purin-6-Amine
• Synonyms: 9-[(4-Nitrophenyl)Methyl]-6-Purinamine; [9-(4-Nitrobenzyl)Purin-6-Yl]Amine; 9-(P-Nitrobenzyl)Adenine
• Molecular Formula: C₁₂H₁₀N₆O₂
• Molecular Weight: 270.25
• CAS Registry Number: 73215-03-9
• SMILES: C2=NC(=C1N=C[N](C1=N2)CC3=CC=C(C=C3)[N+]([O-])=O)N
• InChI: 1S/C12H10N6O2/c13-11-10-12(15-6-14-11)17(7-16-10)5-8-1-3-9(4-2-8)18(19)20/h1-4,6-7H,5H2,(H2,13,14,15)
• InChIKey: RPALJMDJHWZXMU-UHFFFAOYSA-N

Properties

• Density: 1.615g/cm³ (Cal.)
• Boiling point: 587.138°C at 760 mmHg (Cal.)
• Flash point: 308.89°C (Cal.)