1-N-Propyl-3,7-Dimethylxanthine
[CAS# 63906-63-8]

Identification

• Name: 1-N-Propyl-3,7-Dimethylxanthine
• Synonyms: 3,7-Dimethyl-1-Propyl-Purine-2,6-Dione; 3,7-Dimethyl-1-Propyl-Xanthine; 1-N-Propyl-3,7-Dimethylxanthine
• Molecular Formula: C₁₀H₁₄N₄O₂
• Molecular Weight: 222.25
• CAS Registry Number: 63906-63-8
• SMILES: C2=NC1=C(C(N(C(N1C)=O)CCC)=O)[N]2C
• InChI: 1S/C10H14N4O2/c1-4-5-14-9(15)7-8(11-6-12(7)2)13(3)10(14)16/h6H,4-5H2,1-3H3
• InChIKey: XJKSERUTELYNMR-UHFFFAOYSA-N

Properties

• Density: 1.342g/cm³ (Cal.)
• Boiling point: 426.962°C at 760 mmHg (Cal.)
• Flash point: 212.019°C (Cal.)