But-2-Enedioic Acid, 1-[4-[2-[4-[3-(Trifluoromethyl)Phenyl]Piperazin-1 -Yl]Ethyl]Piperazin-1-Yl]Propan-1-One
[CAS# 65274-60-4]

Identification

• Name: But-2-Enedioic Acid, 1-[4-[2-[4-[3-(Trifluoromethyl)Phenyl]Piperazin-1 -Yl]Ethyl]Piperazin-1-Yl]Propan-1-One
• Synonyms: But-2-Enedioic Acid; 1-[4-[2-[4-[3-(Trifluoromethyl)Phenyl]-1-Piperazinyl]Ethyl]-1-Piperazinyl]Propan-1-One; Piperazine, 1-(1-Oxopropyl)-4-(2-(4-(3-(Trifluoromethyl)Phenyl)-1-Piperazinyl)Ethyl)-, (E)-2-Butenedioate (1:2)
• Molecular Formula: C₂₈H₃₇F₃N₄O₉
• Molecular Weight: 630.62
• CAS Registry Number: 65274-60-4
• SMILES: C1=C(C(F)(F)F)C=CC=C1N2CCN(CC2)CCN3CCN(CC3)C(=O)CC.O=C(O)\C=C\C(=O)O.O=C(O)\C=C\C(=O)O
• InChI: 1S/C20H29F3N4O.2C4H4O4/c1-2-19(28)27-14-10-25(11-15-27)7-6-24-8-12-26(13-9-24)18-5-3-4-17(16-18)20(21,22)23;2*5-3(6)1-2-4(7)8/h3-5,16H,2,6-15H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+
• InChIKey: NNOLCPVYCGTAKL-LVEZLNDCSA-N

Properties

• Boiling point: 499.7°C at 760 mmHg (Cal.)
• Flash point: 256°C (Cal.)