But-2-Enedioic Acid, Ethyl 4-[2-[4-(3-Chlorophenyl)Piperazin-1-Yl]Ethyl]Piperazine-1-Carboxylate
[CAS# 65274-79-5]

Identification

• Name: But-2-Enedioic Acid, Ethyl 4-[2-[4-(3-Chlorophenyl)Piperazin-1-Yl]Ethyl]Piperazine-1-Carboxylate
• Synonyms: But-2-Enedioic Acid; 4-[2-[4-(3-Chlorophenyl)-1-Piperazinyl]Ethyl]-1-Piperazinecarboxylic Acid Ethyl Ester; But-2-Enedioic Acid; 4-[2-[4-(3-Chlorophenyl)Piperazin-1-Yl]Ethyl]Piperazine-1-Carboxylic Acid Ethyl Ester; 1-Piperazinecarboxylic Acid, 4-(2-(4-(3-Chlorophenyl)-1-Piperazinyl)Ethyl)-, Ethyl Ester, (E)-2-Butenedioate (1:2)
• Molecular Formula: C₂₇H₃₇ClN₄O₁₀
• Molecular Weight: 613.06
• CAS Registry Number: 65274-79-5
• SMILES: C1=C(Cl)C=CC=C1N2CCN(CC2)CCN3CCN(C(OCC)=O)CC3.O=C(O)\C=C\C(=O)O.O=C(O)\C=C\C(=O)O
• InChI: 1S/C19H29ClN4O2.2C4H4O4/c1-2-26-19(25)24-14-10-22(11-15-24)7-6-21-8-12-23(13-9-21)18-5-3-4-17(20)16-18;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: JJMBYTJQLSOFQD-LVEZLNDCSA-N

Properties

• Boiling point: 498.3°C at 760 mmHg (Cal.)
• Flash point: 255.2°C (Cal.)