4-Nitro-N-(7H-Purin-6-Yl)Benzamide
[CAS# 36855-73-9]

Identification

• Name: 4-Nitro-N-(7H-Purin-6-Yl)Benzamide
• Synonyms: Benzamide, 4-Nitro-N-Purin-6-Yl-; Purine, 6-(P-Nitrobenzamido)-; 4-Nitro-N-Purin-6-Ylbenzamide
• Molecular Formula: C₁₂H₈N₆O₃
• Molecular Weight: 284.23
• CAS Registry Number: 36855-73-9
• SMILES: C3=C(C(=O)NC1=NC=NC2=C1[NH]C=N2)C=CC(=C3)[N+]([O-])=O
• InChI: 1S/C12H8N6O3/c19-12(7-1-3-8(4-2-7)18(20)21)17-11-9-10(14-5-13-9)15-6-16-11/h1-6H,(H2,13,14,15,16,17,19)
• InChIKey: MAYPTSUDLAWBGU-UHFFFAOYSA-N

Properties

• Density: 1.65g/cm³ (Cal.)
• Boiling point: 544.937°C at 760 mmHg (Cal.)
• Flash point: 283.368°C (Cal.)