1,8-Dimethyl-3-Isobutyl-Xanthine
[CAS# 63908-28-1]

Identification

• Name: 1,8-Dimethyl-3-Isobutyl-Xanthine
• Synonyms: 3-Isobutyl-1,8-Dimethyl-7H-Purine-2,6-Dione; 3-Isobutyl-1,8-Dimethyl-7H-Purine-2,6-Quinone; 1H-Purine-2,6-Dione, 3,7-Dihydro-1,8-Dimethyl-3-(2-Methylpropyl)-
• Molecular Formula: C₁₁H₁₆N₄O₂
• Molecular Weight: 236.27
• CAS Registry Number: 63908-28-1
• SMILES: C(C(C)C)N1C(=O)N(C)C(=O)C2=C1N=C([NH]2)C
• InChI: 1S/C11H16N4O2/c1-6(2)5-15-9-8(12-7(3)13-9)10(16)14(4)11(15)17/h6H,5H2,1-4H3,(H,12,13)
• InChIKey: JGULMIZILIGJNC-UHFFFAOYSA-N

Properties

• Density: 1.242g/cm³ (Cal.)
• Boiling point: 462.8°C at 760 mmHg (Cal.)
• Flash point: 233.693°C (Cal.)