1,3-Dimethyl-8-Propyl-1H-Purine-2,6(3H,7H)-Dione
[CAS# 2850-41-1]

Identification

• Name: 1,3-Dimethyl-8-Propyl-1H-Purine-2,6(3H,7H)-Dione
• Synonyms: 1,3-Dimethyl-8-Propyl-7H-Purine-2,6-Quinone; 1H-Purine-2,6-Dione, 3,7-Dihydro-1,3-Dimethyl-8-Propyl-; 8-Propyltheophylline
• Molecular Formula: C₁₀H₁₄N₄O₂
• Molecular Weight: 222.25
• CAS Registry Number: 2850-41-1
• SMILES: C(C2=NC1=C(C(N(C(N1C)=O)C)=O)[NH]2)CC
• InChI: 1S/C10H14N4O2/c1-4-5-6-11-7-8(12-6)13(2)10(16)14(3)9(7)15/h4-5H2,1-3H3,(H,11,12)
• InChIKey: LMQXNURVVYWBSR-UHFFFAOYSA-N

Properties

• Density: 1.29g/cm³ (Cal.)
• Boiling point: 463.914°C at 760 mmHg (Cal.)
• Flash point: 234.367°C (Cal.)