Trelibet
[CAS# 39640-14-7]

Identification

• Name: Trelibet
• Synonyms: But-2-Enedioic Acid; [4-(Phenylmethyl)Piperazin-1-Yl]-(2-Pyridyl)Methanone; But-2-Enedioic Acid; [4-(Phenylmethyl)-1-Piperazinyl]-(2-Pyridyl)Methanone; [4-(Benzyl)Piperazin-1-Yl]-(2-Pyridyl)Methanone; But-2-Enedioic Acid
• Molecular Formula: C₂₁H₂₃N₃O₅
• Molecular Weight: 397.43
• CAS Registry Number: 39640-14-7
• SMILES: C1=CC=CN=C1C(=O)N2CCN(CC2)CC3=CC=CC=C3.O=C(O)\C=C\C(=O)O
• InChI: 1S/C17H19N3O.C4H4O4/c21-17(16-8-4-5-9-18-16)20-12-10-19(11-13-20)14-15-6-2-1-3-7-15;5-3(6)1-2-4(7)8/h1-9H,10-14H2;1-2H,(H,5,6)(H,7,8)/b;2-1+
• InChIKey: LRLXOTXPDLWOBL-WLHGVMLRSA-N

Properties

• Boiling point: 446.6°C at 760 mmHg (Cal.)
• Flash point: 223.9°C (Cal.)