1-Butyl-3,7-Dimethylpurine-2,6-Dione
[CAS# 1143-30-2]

Identification

• Name: 1-Butyl-3,7-Dimethylpurine-2,6-Dione
• Synonyms: 1-Butyl-3,7-Dimethyl-Purine-2,6-Dione; 1-Butyl-3,7-Dimethyl-Xanthine; Wln: T56 Bn Dn Fnvnvj B1 F1 H4
• Molecular Formula: C₁₁H₁₆N₄O₂
• Molecular Weight: 236.27
• CAS Registry Number: 1143-30-2
• SMILES: C1=NC2=C([N]1C)C(N(CCCC)C(=O)N2C)=O
• InChI: 1S/C11H16N4O2/c1-4-5-6-15-10(16)8-9(12-7-13(8)2)14(3)11(15)17/h7H,4-6H2,1-3H3
• InChIKey: ZCUPBJOZMPROIJ-UHFFFAOYSA-N

Properties

• Density: 1.3g/cm³ (Cal.)
• Boiling point: 434.52°C at 760 mmHg (Cal.)
• Flash point: 216.59°C (Cal.)