4-(2-(4-(3-(Trifluoromethyl)Phenyl)-1-Piperazinyl)Ethyl)-1-Piperazinecarboxylic Acid Phenylmethyl Ester (E)-2-Butenedioate (1:2)
[CAS# 65274-83-1]

Identification

• Name: 4-(2-(4-(3-(Trifluoromethyl)Phenyl)-1-Piperazinyl)Ethyl)-1-Piperazinecarboxylic Acid Phenylmethyl Ester (E)-2-Butenedioate (1:2)
• Synonyms: But-2-Enedioic Acid; 4-[2-[4-[3-(Trifluoromethyl)Phenyl]-1-Piperazinyl]Ethyl]-1-Piperazinecarboxylic Acid Phenylmethyl Ester; But-2-Enedioic Acid; 4-[2-[4-[3-(Trifluoromethyl)Phenyl]Piperazin-1-Yl]Ethyl]Piperazine-1-Carboxylic Acid Benzyl Ester; 1-Piperazinecarboxylic Acid, 4-(2-(4-(3-(Trifluoromethyl)Phenyl)-1-Piperazinyl)Ethyl)-, Phenylmethyl Ester, (E)-2-Butenedioate (1:2)
• Molecular Formula: C₃₃H₃₉F₃N₄O₁₀
• Molecular Weight: 708.69
• CAS Registry Number: 65274-83-1
• SMILES: C1=C(C(F)(F)F)C=CC=C1N2CCN(CC2)CCN4CCN(C(OCC3=CC=CC=C3)=O)CC4.O=C(O)\C=C\C(=O)O.O=C(O)\C=C\C(=O)O
• InChI: 1S/C25H31F3N4O2.2C4H4O4/c26-25(27,28)22-7-4-8-23(19-22)31-15-11-29(12-16-31)9-10-30-13-17-32(18-14-30)24(33)34-20-21-5-2-1-3-6-21;2*5-3(6)1-2-4(7)8/h1-8,19H,9-18,20H2;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+
• InChIKey: GBSZKJALWZOCML-LVEZLNDCSA-N

Properties

• Boiling point: 558.3°C at 760 mmHg (Cal.)
• Flash point: 291.4°C (Cal.)