2-(Methylthio)-N-Phenyl-N-(1-(2-Phenylethyl)-Piperidin-4-Yl)-Acetamide (Z)-2-Butenedioate (1:1)
[CAS# 130820-22-3]

Identification

• Name: 2-(Methylthio)-N-Phenyl-N-(1-(2-Phenylethyl)-Piperidin-4-Yl)-Acetamide (Z)-2-Butenedioate (1:1)
• Synonyms: But-2-Enedioic Acid; 2-Methylsulfanyl-N-Phenyl-N-[1-(2-Phenylethyl)-4-Piperidyl]Acetamide; But-2-Enedioic Acid; 2-(Methylthio)-N-Phenyl-N-[1-(2-Phenylethyl)-4-Piperidinyl]Acetamide; But-2-Enedioic Acid; 2-(Methylthio)-N-Phenyl-N-[1-(2-Phenylethyl)-4-Piperidyl]Acetamide
• Molecular Formula: C₂₆H₃₂N₂O₅S
• Molecular Weight: 484.61
• CAS Registry Number: 130820-22-3
• SMILES: C3=C(N(C1CCN(CC1)CCC2=CC=CC=C2)C(=O)CSC)C=CC=C3.O=C(O)\C=C\C(=O)O
• InChI: 1S/C22H28N2OS.C4H4O4/c1-26-18-22(25)24(20-10-6-3-7-11-20)21-13-16-23(17-14-21)15-12-19-8-4-2-5-9-19;5-3(6)1-2-4(7)8/h2-11,21H,12-18H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
• InChIKey: DHOZPHJTPFNYMP-WLHGVMLRSA-N

Properties

• Boiling point: 498.2°C at 760 mmHg (Cal.)
• Flash point: 255.1°C (Cal.)