3-Ethyl-1-(6-Hydroxy-6-Methylheptyl)-7-Propylpurine-2,6-Dione
[CAS# 134072-58-5]

Identification

• Name: 3-Ethyl-1-(6-Hydroxy-6-Methylheptyl)-7-Propylpurine-2,6-Dione
• Synonyms: 3-Ethyl-1-(6-Hydroxy-6-Methyl-Heptyl)-7-Propyl-Purine-2,6-Dione; 3-Ethyl-1-(6-Hydroxy-6-Methyl-Heptyl)-7-Propyl-Xanthine; 3-Ethyl-1-(6-Hydroxy-6-Methylheptyl)-7-Propylxanthine
• Molecular Formula: C₁₈H₃₀N₄O₃
• Molecular Weight: 350.46
• CAS Registry Number: 134072-58-5
• SMILES: C1=NC2=C([N]1CCC)C(N(CCCCCC(C)(C)O)C(N2CC)=O)=O
• InChI: 1S/C18H30N4O3/c1-5-11-20-13-19-15-14(20)16(23)22(17(24)21(15)6-2)12-9-7-8-10-18(3,4)25/h13,25H,5-12H2,1-4H3
• InChIKey: ATHCWQQQOOHNJU-UHFFFAOYSA-N

Properties

• Density: 1.183g/cm³ (Cal.)
• Boiling point: 545°C at 760 mmHg (Cal.)
• Flash point: 283.406°C (Cal.)