(2E)-4-Oxo-4-(4-phenyl-1-piperazinyl)-2-butenoic acid
[CAS# 72547-39-8]

Identification

• Name: (2E)-4-Oxo-4-(4-phenyl-1-piperazinyl)-2-butenoic acid
• Synonyms: (2Z)-4-oxo-4-(4-phenylpiperazin-1-yl)but-2-enoic acid; 2-butenoic acid, 4-oxo-4-(4-phenyl-1-piperazinyl)-; 4-oxo-4-(4-phenyl-1-piperazinyl)-2-butenoic acid
• Molecular Formula: C₁₄H₁₆N₂O₃
• Molecular Weight: 260.29
• CAS Registry Number: 72547-39-8
• SMILES: O=C(O)\C=C\C(=O)N2CCN(c1ccccc1)CC2
• InChI: 1S/C14H16N2O3/c17-13(6-7-14(18)19)16-10-8-15(9-11-16)12-4-2-1-3-5-12/h1-7H,8-11H2,(H,18,19)/b7-6+
• InChIKey: TXJRLIIJYDMXHQ-VOTSOKGWSA-N

Properties

• Density: 1.268g/cm³ (Cal.)
• Boiling point: 514.017°C at 760 mmHg (Cal.)
• Flash point: 264.668°C (Cal.)