1,3-Diisobutyl-8-Methylxanthine
[CAS# 81250-28-4]

Identification

• Name: 1,3-Diisobutyl-8-Methylxanthine
• Synonyms: 1,3-Diisobutyl-8-Methyl-7H-Purine-2,6-Dione; 1,3-Diisobutyl-8-Methyl-7H-Purine-2,6-Quinone; 3,7-Dihydro-1,3-Bis(2-Methylpropyl)-8-Methyl-1H-Purine-2,6-Dione
• Molecular Formula: C₁₄H₂₂N₄O₂
• Molecular Weight: 278.35
• CAS Registry Number: 81250-28-4
• SMILES: C(C(C)C)N2C(=O)N(CC(C)C)C1=C([NH]C(=N1)C)C2=O
• InChI: 1S/C14H22N4O2/c1-8(2)6-17-12-11(15-10(5)16-12)13(19)18(14(17)20)7-9(3)4/h8-9H,6-7H2,1-5H3,(H,15,16)
• InChIKey: WRQBKBUITFMSFG-UHFFFAOYSA-N

Properties

• Density: 1.154g/cm³ (Cal.)
• Boiling point: 479.443°C at 760 mmHg (Cal.)
• Flash point: 243.759°C (Cal.)