1-Isoamyl-3-Isobutylxanthine
[CAS# 63908-26-9]

Identification

• Name: 1-Isoamyl-3-Isobutylxanthine
• Synonyms: 3-Isobutyl-1-Isopentyl-7H-Purine-2,6-Dione; 1-Isoamyl-3-Isobutyl-7H-Purine-2,6-Quinone; 1-Isoamyl-3-Isobutylxanthine
• Molecular Formula: C₁₄H₂₂N₄O₂
• Molecular Weight: 278.35
• CAS Registry Number: 63908-26-9
• SMILES: C1=NC2=C([NH]1)C(N(CCC(C)C)C(=O)N2CC(C)C)=O
• InChI: 1S/C14H22N4O2/c1-9(2)5-6-17-13(19)11-12(16-8-15-11)18(14(17)20)7-10(3)4/h8-10H,5-7H2,1-4H3,(H,15,16)
• InChIKey: HRWQHFZQHIUCCC-UHFFFAOYSA-N

Properties

• Density: 1.153g/cm³ (Cal.)
• Boiling point: 470.462°C at 760 mmHg (Cal.)
• Flash point: 238.327°C (Cal.)