9-(4-Nitrobenzyl)-9H-Purin-6-Ol
[CAS# 13233-86-8]

Identification

• Name: 9-(4-Nitrobenzyl)-9H-Purin-6-Ol
• Synonyms: 9-(4-Nitrobenzyl)-3H-Purin-6-One; 6H-Purin-6-One, 1,9-Dihydro-9-[(4-Nitrophenyl)Methyl]-; 9-(P-Nitrobenzyl)-9H-Purin-6-Ol
• Molecular Formula: C₁₂H₉N₅O₃
• Molecular Weight: 271.23
• CAS Registry Number: 13233-86-8
• SMILES: C2=NC1=C(NC=NC1=O)[N]2CC3=CC=C(C=C3)[N+]([O-])=O
• InChI: 1S/C12H9N5O3/c18-12-10-11(13-6-14-12)16(7-15-10)5-8-1-3-9(4-2-8)17(19)20/h1-4,6-7H,5H2,(H,13,14,18)
• InChIKey: AWOOIVCGPKFRJZ-UHFFFAOYSA-N

Properties

• Density: 1.616g/cm³ (Cal.)
• Boiling point: 592.843°C at 760 mmHg (Cal.)
• Flash point: 312.34°C (Cal.)