9-(3-Methylphenyl)-3H-Purin-6-One
[CAS# 73941-32-9]

Identification

• Name: 9-(3-Methylphenyl)-3H-Purin-6-One
• Synonyms: 6H-Purin-6-One, 1,9-Dihydro-9-(3-Methylphenyl)-; 9-(M-Tolyl)Hypoxanthine; Hypoxanthine, 9-(M-Tolyl)-
• Molecular Formula: C₁₂H₁₀N₄O
• Molecular Weight: 226.24
• CAS Registry Number: 73941-32-9
• SMILES: C2=NC1=C(NC=NC1=O)[N]2C3=CC(=CC=C3)C
• InChI: 1S/C12H10N4O/c1-8-3-2-4-9(5-8)16-7-15-10-11(16)13-6-14-12(10)17/h2-7H,1H3,(H,13,14,17)
• InChIKey: IILOZGWKBUXFKQ-UHFFFAOYSA-N

Properties

• Density: 1.4g/cm³ (Cal.)
• Boiling point: 481.613°C at 760 mmHg (Cal.)
• Flash point: 245.071°C (Cal.)