3-Butyl-1-Methyl-7H-Purine-2,6-Dione
[CAS# 31542-48-0]

Identification

• Name: 3-Butyl-1-Methyl-7H-Purine-2,6-Dione
• Synonyms: 3-Butyl-1-Methyl-7H-Purine-2,6-Quinone; 3,7-Dihydro-3-Butyl-1-Methyl-1H-Purine-2,6-Dione; Sc 2764
• Molecular Formula: C₁₀H₁₄N₄O₂
• Molecular Weight: 222.25
• CAS Registry Number: 31542-48-0
• SMILES: C2=NC1=C(C(N(C(N1CCCC)=O)C)=O)[NH]2
• InChI: 1S/C10H14N4O2/c1-3-4-5-14-8-7(11-6-12-8)9(15)13(2)10(14)16/h6H,3-5H2,1-2H3,(H,11,12)
• InChIKey: KYWKJKVQLGANBH-UHFFFAOYSA-N

Properties

• Density: 1.281g/cm³ (Cal.)
• Boiling point: 454.127°C at 760 mmHg (Cal.)
• Flash point: 228.448°C (Cal.)