3,7-Dimethyl-1-[5-[4-(3-Methylphenyl)Piperazin-1-Yl]Pentyl]Purine-2,6- Dione Dihydrochloride
[CAS# 81996-02-3]

Identification

• Name: 3,7-Dimethyl-1-[5-[4-(3-Methylphenyl)Piperazin-1-Yl]Pentyl]Purine-2,6- Dione Dihydrochloride
• Synonyms: 3,7-Dimethyl-1-[5-[4-(M-Tolyl)Piperazin-1-Yl]Pentyl]Purine-2,6-Dione Dihydrochloride; 3,7-Dimethyl-1-[5-[4-(M-Tolyl)-1-Piperazinyl]Pentyl]Purine-2,6-Dione Dihydrochloride; 3,7-Dimethyl-1-[5-[4-(M-Tolyl)Piperazin-1-Yl]Pentyl]Xanthine Dihydrochloride
• Molecular Formula: C₂₃H₃₄Cl₂N₆O₂
• Molecular Weight: 497.47
• CAS Registry Number: 81996-02-3
• SMILES: [H+].[H+].C(N1C(=O)C2=C(N(C1=O)C)N=C[N]2C)CCCCN4CCN(C3=CC=CC(=C3)C)CC4.[Cl-].[Cl-]
• InChI: 1S/C23H32N6O2.2ClH/c1-18-8-7-9-19(16-18)28-14-12-27(13-15-28)10-5-4-6-11-29-22(30)20-21(24-17-25(20)2)26(3)23(29)31;;/h7-9,16-17H,4-6,10-15H2,1-3H3;2*1H
• InChIKey: BYXMGHJGOBWTJP-UHFFFAOYSA-N

Properties

• Boiling point: 648.1°C at 760 mmHg (Cal.)
• Flash point: 345.7°C (Cal.)