But-2-Enedioic Acid, Ethyl 4-[2-(10-Bicyclo[5.4.0]Undeca-8,10,12-Trienyl)-2-Hydroxy-Ethyl]Piperazine-1-Carboxylate
[CAS# 42882-67-7]

Identification

• Name: But-2-Enedioic Acid, Ethyl 4-[2-(10-Bicyclo[5.4.0]Undeca-8,10,12-Trienyl)-2-Hydroxy-Ethyl]Piperazine-1-Carboxylate
• Synonyms: But-2-Enedioic Acid; 4-[2-Hydroxy-2-(6,7,8,9-Tetrahydro-5H-Benzo[7]Annulen-2-Yl)Ethyl]-1-Piperazinecarboxylic Acid Ethyl Ester; But-2-Enedioic Acid; 4-[2-Hydroxy-2-(6,7,8,9-Tetrahydro-5H-Benzo[7]Annulen-2-Yl)Ethyl]Piperazine-1-Carboxylic Acid Ethyl Ester; 1-Piperazinecarboxylic Acid, 4-(2-Hydroxy-2-(6,7,8,9-Tetrahydro-5H-Benzocyclohepten-2-Yl)Ethyl)-, Ethyl Ester, (Z)-2-Butenedioate, Hydrate (2:2:1)
• Molecular Formula: C₂₄H₃₄N₂O₇
• Molecular Weight: 462.54
• CAS Registry Number: 42882-67-7
• SMILES: C1=C3C(=CC=C1C(O)CN2CCN(CC2)C(OCC)=O)CCCCC3.O=C(O)\C=C\C(=O)O
• InChI: 1S/C20H30N2O3.C4H4O4/c1-2-25-20(24)22-12-10-21(11-13-22)15-19(23)18-9-8-16-6-4-3-5-7-17(16)14-18;5-3(6)1-2-4(7)8/h8-9,14,19,23H,2-7,10-13,15H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
• InChIKey: QPVPJHFAFBDAOO-WLHGVMLRSA-N

Properties

• Boiling point: 507°C at 760 mmHg (Cal.)
• Flash point: 260.4°C (Cal.)