7-[3-(4-Phenethyl-1-Piperazinyl)-2-Hydroxypropyl]-1,3-Dimethyl-7H-Purine-2,6(1H,3H)-Dione
[CAS# 19971-99-4]

Identification

• Name: 7-[3-(4-Phenethyl-1-Piperazinyl)-2-Hydroxypropyl]-1,3-Dimethyl-7H-Purine-2,6(1H,3H)-Dione
• Synonyms: 7-[2-Hydroxy-3-[4-(2-Phenylethyl)Piperazin-1-Yl]Propyl]-1,3-Dimethyl-Purine-2,6-Dione; 7-[2-Hydroxy-3-[4-(2-Phenylethyl)-1-Piperazinyl]Propyl]-1,3-Dimethylpurine-2,6-Dione; 7-[2-Hydroxy-3-[4-(2-Phenylethyl)Piperazin-1-Yl]Propyl]-1,3-Dimethyl-Xanthine
• Molecular Formula: C₂₂H₃₀N₆O₃
• Molecular Weight: 426.52
• CAS Registry Number: 19971-99-4
• SMILES: C1=NC4=C([N]1CC(CN2CCN(CC2)CCC3=CC=CC=C3)O)C(N(C(N4C)=O)C)=O
• InChI: 1S/C22H30N6O3/c1-24-20-19(21(30)25(2)22(24)31)28(16-23-20)15-18(29)14-27-12-10-26(11-13-27)9-8-17-6-4-3-5-7-17/h3-7,16,18,29H,8-15H2,1-2H3
• InChIKey: YTDDTBOFYLWWLH-UHFFFAOYSA-N

Properties

• Density: 1.328g/cm³ (Cal.)
• Boiling point: 661.314°C at 760 mmHg (Cal.)
• Flash point: 353.75°C (Cal.)