7-[2-Hydroxy-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propyl]-1,3-dimethyl-purine-2,6-dione
[CAS# 19976-95-5]

Identification

• Name: 7-[2-Hydroxy-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propyl]-1,3-dimethyl-purine-2,6-dione
• Synonyms: 7-[2-Hydroxy-3-[4-[(4-Isopropylphenyl)Methyl]Piperazin-1-Yl]Propyl]-1,3-Dimethyl-Purine-2,6-Dione; 7-[2-Hydroxy-3-[4-[(4-Isopropylphenyl)Methyl]-1-Piperazinyl]Propyl]-1,3-Dimethylpurine-2,6-Dione; 7-[2-Hydroxy-3-[4-(4-Isopropylbenzyl)Piperazin-1-Yl]Propyl]-1,3-Dimethyl-Xanthine
• Molecular Formula: C₂₄H₃₄N₆O₃
• Molecular Weight: 454.57
• CAS Registry Number: 19976-95-5
• SMILES: C1=NC4=C([N]1CC(CN2CCN(CC2)CC3=CC=C(C=C3)C(C)C)O)C(N(C(N4C)=O)C)=O
• InChI: 1S/C24H34N6O3/c1-17(2)19-7-5-18(6-8-19)13-28-9-11-29(12-10-28)14-20(31)15-30-16-25-22-21(30)23(32)27(4)24(33)26(22)3/h5-8,16-17,20,31H,9-15H2,1-4H3
• InChIKey: WCZHUTAWPZQKSD-UHFFFAOYSA-N

Properties

• Density: 1.293g/cm³ (Cal.)
• Boiling point: 665.662°C at 760 mmHg (Cal.)
• Flash point: 356.38°C (Cal.)