1-[4,4-Bis(4-fluorophenyl)butyl]-4-{2-[(2,6-dichlorophenyl)amino]-2-oxoethyl}-2-piperazinecarboxamide dihydrochloride hydrate
[CAS# 79467-24-6]

Identification

• Name: 1-[4,4-Bis(4-fluorophenyl)butyl]-4-{2-[(2,6-dichlorophenyl)amino]-2-oxoethyl}-2-piperazinecarboxamide dihydrochloride hydrate
• Synonyms: (±)-4-(4,4-Bis(p-fluorophenyl)butyl)-3-carbamoyl-2',6'-dichloro-1-piperazineacetanilide Dihydrochloride Monohydrate; 3-(Aminocarbonyl)-4-(4,4-bis(4-fluorophenyl)butyl)-N-(2,6-dichlorophenyl)-1-piperazineacetamide Dihydrochloride Monohydrate; R 51469
• Molecular Formula: C₂₉H₃₄Cl₄F₂N₄O₃
• Molecular Weight: 666.41
• CAS Registry Number: 79467-24-6
• SMILES: Cl.Cl.O.Clc4cccc(Cl)c4NC(=O)CN3CC(C(N)=O)N(CCCC(c1ccc(F)cc1)c2ccc(F)cc2)CC3
• InChI: 1S/C29H30Cl2F2N4O2.2ClH.H2O/c30-24-4-1-5-25(31)28(24)35-27(38)18-36-15-16-37(26(17-36)29(34)39)14-2-3-23(19-6-10-21(32)11-7-19)20-8-12-22(33)13-9-20;;;/h1,4-13,23,26H,2-3,14-18H2,(H2,34,39)(H,35,38);2*1H;1H2
• InChIKey: CAEGSEJNBXUDOD-UHFFFAOYSA-N

Properties

• Boiling point: 840.5°C at 760 mmHg (Cal.)
• Flash point: 462.1°C (Cal.)