But-2-Enedioic Acid
[CAS# 142852-51-5]

Identification

• Name: But-2-Enedioic Acid
• Synonyms: But-2-Enedioic Acid; 3-[1-(Phenylmethyl)-4-Piperidyl]-1-(2,3,4,5-Tetrahydro-1H-1-Benzazepin-8-Yl)Propan-1-One; But-2-Enedioic Acid; 3-[1-(Phenylmethyl)-4-Piperidinyl]-1-(2,3,4,5-Tetrahydro-1H-1-Benzazepin-8-Yl)Propan-1-One; 3-[1-(Benzyl)-4-Piperidyl]-1-(2,3,4,5-Tetrahydro-1H-1-Benzazepin-8-Yl)Propan-1-One; But-2-Enedioic Acid
• Molecular Formula: C₂₉H₃₆N₂O₅
• Molecular Weight: 492.61
• CAS Registry Number: 142852-51-5
• SMILES: C2=C1NCCCCC1=CC=C2C(=O)CCC3CCN(CC3)CC4=CC=CC=C4.O=C(O)\C=C\C(=O)O
• InChI: 1S/C25H32N2O.C4H4O4/c28-25(23-11-10-22-8-4-5-15-26-24(22)18-23)12-9-20-13-16-27(17-14-20)19-21-6-2-1-3-7-21;5-3(6)1-2-4(7)8/h1-3,6-7,10-11,18,20,26H,4-5,8-9,12-17,19H2;1-2H,(H,5,6)(H,7,8)/b;2-1+
• InChIKey: CWEHWZPCDBRUNO-WLHGVMLRSA-N

Properties

• Boiling point: 547°C at 760 mmHg (Cal.)
• Flash point: 284.6°C (Cal.)