7-[2-Hydroxy-3-[4-(4-methoxybenzyl)piperazin-1-yl]propyl]-1,3-dimethyl-xanthine
[CAS# 19972-00-0]

Identification

• Name: 7-[2-Hydroxy-3-[4-(4-methoxybenzyl)piperazin-1-yl]propyl]-1,3-dimethyl-xanthine
• Synonyms: 7-[2-Hydroxy-3-[4-[(4-Methoxyphenyl)Methyl]Piperazin-1-Yl]Propyl]-1,3-Dimethyl-Purine-2,6-Dione; 7-[2-Hydroxy-3-[4-[(4-Methoxyphenyl)Methyl]-1-Piperazinyl]Propyl]-1,3-Dimethylpurine-2,6-Dione; 7-[2-Hydroxy-3-[4-(4-Methoxybenzyl)Piperazin-1-Yl]Propyl]-1,3-Dimethyl-Xanthine
• Molecular Formula: C₂₂H₃₀N₆O₄
• Molecular Weight: 442.52
• CAS Registry Number: 19972-00-0
• SMILES: C1=NC4=C([N]1CC(CN2CCN(CC2)CC3=CC=C(C=C3)OC)O)C(N(C(N4C)=O)C)=O
• InChI: 1S/C22H30N6O4/c1-24-20-19(21(30)25(2)22(24)31)28(15-23-20)14-17(29)13-27-10-8-26(9-11-27)12-16-4-6-18(32-3)7-5-16/h4-7,15,17,29H,8-14H2,1-3H3
• InChIKey: AAPHFBIWUCKJCF-UHFFFAOYSA-N

Properties

• Density: 1.354g/cm³ (Cal.)
• Boiling point: 678.597°C at 760 mmHg (Cal.)
• Flash point: 364.203°C (Cal.)