1,3-Diethyl-7-Methylpurine-2,6-Dione
[CAS# 31617-39-7]

Identification

• Name: 1,3-Diethyl-7-Methylpurine-2,6-Dione
• Synonyms: 1,3-Diethyl-7-Methyl-Purine-2,6-Dione; 1,3-Diethyl-7-Methyl-Xanthine; Heteroxanthine, 1,3-Diethyl-
• Molecular Formula: C₁₀H₁₄N₄O₂
• Molecular Weight: 222.25
• CAS Registry Number: 31617-39-7
• SMILES: C1=NC2=C([N]1C)C(=O)N(CC)C(N2CC)=O
• InChI: 1S/C10H14N4O2/c1-4-13-8-7(12(3)6-11-8)9(15)14(5-2)10(13)16/h6H,4-5H2,1-3H3
• InChIKey: WGMHUEQTUNLCNK-UHFFFAOYSA-N

Properties

• Density: 1.342g/cm³ (Cal.)
• Boiling point: 427.335°C at 760 mmHg (Cal.)
• Flash point: 212.245°C (Cal.)