8-Butyl-1,3-Dimethyl-7H-Purine-2,6-Dione
[CAS# 35873-40-6]

Identification

• Name: 8-Butyl-1,3-Dimethyl-7H-Purine-2,6-Dione
• Synonyms: 8-Butyl-1,3-Dimethyl-7H-Purine-2,6-Quinone; 1H-Purine-2,6-Dione, 8-Butyl-3,7-Dihydro-1,3-Dimethyl- (9Ci); 4-26-00-02478 (Beilstein Handbook Reference)
• Molecular Formula: C₁₁H₁₆N₄O₂
• Molecular Weight: 236.27
• CAS Registry Number: 35873-40-6
• SMILES: C(C2=NC1=C(C(N(C(N1C)=O)C)=O)[NH]2)CCC
• InChI: 1S/C11H16N4O2/c1-4-5-6-7-12-8-9(13-7)14(2)11(17)15(3)10(8)16/h4-6H2,1-3H3,(H,12,13)
• InChIKey: VPISOLDSBFMXDM-UHFFFAOYSA-N

Properties

• Density: 1.252g/cm³ (Cal.)
• Boiling point: 468.584°C at 760 mmHg (Cal.)
• Flash point: 237.191°C (Cal.)