1-Ethyl-3,7-Dimethylpurine-2,6-Dione
[CAS# 39832-36-5]

Identification

• Name: 1-Ethyl-3,7-Dimethylpurine-2,6-Dione
• Synonyms: 1-Ethyl-3,7-Dimethyl-Purine-2,6-Dione; 1-Ethyl-3,7-Dimethyl-Xanthine; Nsc515486
• Molecular Formula: C₉H₁₂N₄O₂
• Molecular Weight: 208.22
• CAS Registry Number: 39832-36-5
• SMILES: C1=NC2=C([N]1C)C(N(C(N2C)=O)CC)=O
• InChI: 1S/C9H12N4O2/c1-4-13-8(14)6-7(10-5-11(6)2)12(3)9(13)15/h5H,4H2,1-3H3
• InChIKey: KRVVZPXPQUPXJE-UHFFFAOYSA-N

Properties

• Density: 1.393g/cm³ (Cal.)
• Boiling point: 420.949°C at 760 mmHg (Cal.)
• Flash point: 208.383°C (Cal.)