8-[2-(4-Benzhydrylpiperazin-1-yl)ethyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
[CAS# 90749-32-9]

Identification

• Name: 8-[2-(4-Benzhydrylpiperazin-1-yl)ethyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
• Synonyms: 8-[2-[4-[Di(Phenyl)Methyl]Piperazin-1-Yl]Ethyl]-3-Isobutyl-1-Methyl-7H-Purine-2,6-Dione; 8-[2-[4-[Di(Phenyl)Methyl]-1-Piperazinyl]Ethyl]-3-Isobutyl-1-Methyl-7H-Purine-2,6-Dione; 8-[2-[4-[Di(Phenyl)Methyl]Piperazin-1-Yl]Ethyl]-3-Isobutyl-1-Methyl-7H-Purine-2
• Molecular Formula: C₂₉H₃₆N₆O₂
• Molecular Weight: 500.64
• CAS Registry Number: 90749-32-9
• SMILES: C1=CC=CC=C1C(N4CCN(CCC2=NC3=C([NH]2)C(N(C)C(N3CC(C)C)=O)=O)CC4)C5=CC=CC=C5
• InChI: 1S/C29H36N6O2/c1-21(2)20-35-27-25(28(36)32(3)29(35)37)30-24(31-27)14-15-33-16-18-34(19-17-33)26(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-13,21,26H,14-20H2,1-3H3,(H,30,31)
• InChIKey: OEHQNUNEMMXGRU-UHFFFAOYSA-N

Properties

• Density: 1.211g/cm³ (Cal.)
• Boiling point: 692.501°C at 760 mmHg (Cal.)
• Flash point: 372.611°C (Cal.)