1,9-Dihydro-9-Methyl-6H-Purin-6-One
[CAS# 875-31-0]

Identification

• Name: 1,9-Dihydro-9-Methyl-6H-Purin-6-One
• Synonyms: 9-Methyl-1,9-Dihydro-6H-Purin-6-One; 9-Methylpoxanthine; Nsc4918
• Molecular Formula: C₆H₆N₄O
• Molecular Weight: 150.14
• CAS Registry Number: 875-31-0
• SMILES: C1=NC2=C([N]1C)NC=NC2=O
• InChI: 1S/C6H6N4O/c1-10-3-9-4-5(10)7-2-8-6(4)11/h2-3H,1H3,(H,7,8,11)
• InChIKey: PESGUQRDJASXOR-UHFFFAOYSA-N

Properties

• Density: 1.609g/cm³ (Cal.)
• Boiling point: 447.266°C at 760 mmHg (Cal.)
• Flash point: 224.299°C (Cal.)

References

• (1): José Ruiz, Natalia Cutillas, María Dolores Villa, Gregorio López, Arturo Espinosa and Delia Bautista. N1-Coordination in palladium(II) and platinum(II) complexes with 9-methylhypoxanthine: crystal structures and theoretical calculations, Dalton Trans., 2009, 9637.