1-{3-[4-(2-Chlorophenyl)-1-piperazinyl]propyl}-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione dihydrochloride
[CAS# 87798-89-8]

Identification

• Name: 1-{3-[4-(2-Chlorophenyl)-1-piperazinyl]propyl}-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione dihydrochloride
• Synonyms: 1-(3-(4-(o-Chlorophenyl)-1-piperazinyl)propyl)theobromine dihydrochloride; 1-(3-(4-(o-Chlorophenyl)piperazinyl-(1))-n-propyl)-theobromin dihydrochlorid
• Molecular Formula: C₂₀H₂₇Cl₃N₆O₂
• Molecular Weight: 489.83
• CAS Registry Number: 87798-89-8
• SMILES: Cl.Cl.Clc4ccccc4N3CCN(CCCN2C(=O)c1n(cnc1N(C2=O)C)C)CC3
• InChI: 1S/C20H25ClN6O2.2ClH/c1-23-14-22-18-17(23)19(28)27(20(29)24(18)2)9-5-8-25-10-12-26(13-11-25)16-7-4-3-6-15(16)21;;/h3-4,6-7,14H,5,8-13H2,1-2H3;2*1H
• InChIKey: GKTIOTFRRRKDCT-UHFFFAOYSA-N

Properties

• Boiling point: 637.4°C at 760 mmHg (Cal.)
• Flash point: 339.3°C (Cal.)