8-Cyclobutyl-1,3-Dimethyl-7H-Purine-2,6-Dione
[CAS# 35873-48-4]

Identification

• Name: 8-Cyclobutyl-1,3-Dimethyl-7H-Purine-2,6-Dione
• Synonyms: 8-Cyclobutyl-1,3-Dimethyl-7H-Purine-2,6-Quinone; 1H-Purine-2,6-Dione, 8-Cyclobutyl-3,4-Dihydro-1,3-Dimethyl-; 8-Cyclobutyltheophylline
• Molecular Formula: C₁₁H₁₄N₄O₂
• Molecular Weight: 234.26
• CAS Registry Number: 35873-48-4
• SMILES: CN1C2=C(C(N(C1=O)C)=O)[NH]C(=N2)C3CCC3
• InChI: 1S/C11H14N4O2/c1-14-9-7(10(16)15(2)11(14)17)12-8(13-9)6-4-3-5-6/h6H,3-5H2,1-2H3,(H,12,13)
• InChIKey: OBURDMXZDVFAKK-UHFFFAOYSA-N

Properties

• Density: 1.389g/cm³ (Cal.)
• Boiling point: 508.769°C at 760 mmHg (Cal.)
• Flash point: 261.494°C (Cal.)