7-[3-[4-(2-Chlorobenzyl)piperazin-1-yl]-2-hydroxy-propyl]-1,3-dimethyl-xanthine
[CAS# 19971-95-0]

Identification

• Name: 7-[3-[4-(2-Chlorobenzyl)piperazin-1-yl]-2-hydroxy-propyl]-1,3-dimethyl-xanthine
• Synonyms: 7-[3-[4-[(2-Chlorophenyl)Methyl]Piperazin-1-Yl]-2-Hydroxy-Propyl]-1,3-Dimethyl-Purine-2,6-Dione; 7-[3-[4-[(2-Chlorophenyl)Methyl]-1-Piperazinyl]-2-Hydroxypropyl]-1,3-Dimethylpurine-2,6-Dione; 7-[3-[4-(2-Chlorobenzyl)Piperazin-1-Yl]-2-Hydroxy-Propyl]-1,3-Dimethyl-Xanthine
• Molecular Formula: C₂₁H₂₇ClN₆O₃
• Molecular Weight: 446.94
• CAS Registry Number: 19971-95-0
• SMILES: C1=NC4=C([N]1CC(CN2CCN(CC2)CC3=CC=CC=C3Cl)O)C(N(C(N4C)=O)C)=O
• InChI: 1S/C21H27ClN6O3/c1-24-19-18(20(30)25(2)21(24)31)28(14-23-19)13-16(29)12-27-9-7-26(8-10-27)11-15-5-3-4-6-17(15)22/h3-6,14,16,29H,7-13H2,1-2H3
• InChIKey: PCBUZWQUXVGWOF-UHFFFAOYSA-N

Properties

• Density: 1.421g/cm³ (Cal.)
• Boiling point: 675.769°C at 760 mmHg (Cal.)
• Flash point: 362.492°C (Cal.)