1,3-Dimethyl-8-Isobutyl-1H-Purine-2,6(3H,7H)-Dione
[CAS# 5770-30-9]

Identification

• Name: 1,3-Dimethyl-8-Isobutyl-1H-Purine-2,6(3H,7H)-Dione
• Synonyms: 8-Isobutyl-1,3-Dimethyl-7H-Purine-2,6-Dione; 8-Isobutyl-1,3-Dimethyl-7H-Purine-2,6-Quinone; Nciopen2_006879
• Molecular Formula: C₁₁H₁₆N₄O₂
• Molecular Weight: 236.27
• CAS Registry Number: 5770-30-9
• SMILES: C(C2=NC1=C(C(N(C(N1C)=O)C)=O)[NH]2)C(C)C
• InChI: 1S/C11H16N4O2/c1-6(2)5-7-12-8-9(13-7)14(3)11(17)15(4)10(8)16/h6H,5H2,1-4H3,(H,12,13)
• InChIKey: NOEMEJJCNDUHJT-UHFFFAOYSA-N

Properties

• Density: 1.249g/cm³ (Cal.)
• Boiling point: 460.625°C at 760 mmHg (Cal.)
• Flash point: 232.378°C (Cal.)