9-(Para-Nitrophenyl)Adenine
[CAS# 21314-05-6]

Identification

• Name: 9-(Para-Nitrophenyl)Adenine
• Synonyms: 9-(4-Nitrophenyl)-6-Purinamine; [9-(4-Nitrophenyl)Purin-6-Yl]Amine; Nsc211255
• Molecular Formula: C₁₁H₈N₆O₂
• Molecular Weight: 256.22
• CAS Registry Number: 21314-05-6
• SMILES: C2=NC1=C(N=CN=C1[N]2C3=CC=C([N+]([O-])=O)C=C3)N
• InChI: 1S/C11H8N6O2/c12-10-9-11(14-5-13-10)16(6-15-9)7-1-3-8(4-2-7)17(18)19/h1-6H,(H2,12,13,14)
• InChIKey: CUQVCKJPCJQAMP-UHFFFAOYSA-N

Properties

• Density: 1.694g/cm³ (Cal.)
• Boiling point: 554.806°C at 760 mmHg (Cal.)
• Flash point: 289.336°C (Cal.)