1-Propyl-3-Butyl-8-Methylxanthine
[CAS# 81250-24-0]

Identification

• Name: 1-Propyl-3-Butyl-8-Methylxanthine
• Synonyms: 3-Butyl-8-Methyl-1-Propyl-7H-Purine-2,6-Quinone; 3,7-Dihydro-3-Butyl-8-Methyl-1-Propyl-1H-Purine-2,6-Dione; 1-Propyl-3-Butyl-8-Methylxanthine
• Molecular Formula: C₁₃H₂₀N₄O₂
• Molecular Weight: 264.33
• CAS Registry Number: 81250-24-0
• SMILES: C(N2C(N(C1=C([NH]C(=N1)C)C2=O)CCCC)=O)CC
• InChI: 1S/C13H20N4O2/c1-4-6-8-16-11-10(14-9(3)15-11)12(18)17(7-5-2)13(16)19/h4-8H2,1-3H3,(H,14,15)
• InChIKey: QMRNVBQRDCPVDY-UHFFFAOYSA-N

Properties

• Density: 1.181g/cm³ (Cal.)
• Boiling point: 484.416°C at 760 mmHg (Cal.)
• Flash point: 246.766°C (Cal.)