9-Phenyl-3,9-Dihydro-1H-Purine-2,6-Dione
[CAS# 5444-47-3]

Identification

• Name: 9-Phenyl-3,9-Dihydro-1H-Purine-2,6-Dione
• Synonyms: 9-Phenylxanthine; Nsc19111; 9-Phenyl-3,9-Dihydro-1H-Purine-2,6-Dione
• Molecular Formula: C₁₁H₈N₄O₂
• Molecular Weight: 228.21
• CAS Registry Number: 5444-47-3
• SMILES: C1=NC3=C([N]1C2=CC=CC=C2)NC(=O)NC3=O
• InChI: 1S/C11H8N4O2/c16-10-8-9(13-11(17)14-10)15(6-12-8)7-4-2-1-3-5-7/h1-6H,(H2,13,14,16,17)
• InChIKey: SMYATLOKIGVDEW-UHFFFAOYSA-N

Properties

• Density: 1.588g/cm³ (Cal.)
• Boiling point: 600.5°C at 760 mmHg (Cal.)
• Flash point: 317°C (Cal.)