8-(Para-Nitrophenyl)Adenine
[CAS# 21313-86-0]

Identification

• Name: 8-(Para-Nitrophenyl)Adenine
• Synonyms: Nsc211161; Ccris 5373; 1H-Purin-6-Amine, 8-(4-Nitrophenyl)-
• Molecular Formula: C₁₁H₈N₆O₂
• Molecular Weight: 256.22
• CAS Registry Number: 21313-86-0
• SMILES: C2=NC(=C1[NH]C(=NC1=N2)C3=CC=C(C=C3)[N+]([O-])=O)N
• InChI: 1S/C11H8N6O2/c12-9-8-11(14-5-13-9)16-10(15-8)6-1-3-7(4-2-6)17(18)19/h1-5H,(H3,12,13,14,15,16)
• InChIKey: QJPOCIZCOMVWOR-UHFFFAOYSA-N

Properties

• Density: 1.592g/cm³ (Cal.)
• Boiling point: 594.17°C at 760 mmHg (Cal.)
• Flash point: 313.143°C (Cal.)