1,4,5,7-Tetrahydro-6H-purin-6-one
[CAS# 98325-50-9]

Identification

• Name: 1,4,5,7-Tetrahydro-6H-purin-6-one
• Synonyms: 4H-Purin-6-ol, 5,7-dihydro-; 4H-Purin-6-ol, 5,7-dihydro- (9CI); 5,7-dihydro-1H-purin-6(4H)-one
• Molecular Formula: C₅H₆N₄O
• Molecular Weight: 138.13
• CAS Registry Number: 98325-50-9
• SMILES: C1=NC2C(N1)C(=NC=N2)O
• InChI: 1S/C5H6N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-4H,(H,6,7)(H,8,9,10)
• InChIKey: PQFINBOMEPVFCE-UHFFFAOYSA-N

Properties

• Density: 1.92g/cm³ (Cal.)
• Boiling point: 504.352°C at 760 mmHg (Cal.)
• Flash point: 258.823°C (Cal.)