N-[(3S,4R)-1-[2-(4-Isothiocyanatophenyl)Ethyl]-3-Methyl-4-Piperidyl]-N-Phenyl-Propanamide
[CAS# 101472-20-2]

Identification

• Name: N-[(3S,4R)-1-[2-(4-Isothiocyanatophenyl)Ethyl]-3-Methyl-4-Piperidyl]-N-Phenyl-Propanamide
• Synonyms: N-[(3S,4R)-1-[2-(4-Isothiocyanatophenyl)Ethyl]-3-Methyl-4-Piperidyl]-N-Phenyl-Propanamide; N-[(3S,4R)-1-[2-(4-Isothiocyanatophenyl)Ethyl]-3-Methyl-4-Piperidinyl]-N-Phenylpropanamide; N-[(3S,4R)-1-[2-(4-Isothiocyanatophenyl)Ethyl]-3-Methyl-4-Piperidyl]-N-Phenyl-Propionamide
• Molecular Formula: C₂₄H₂₉N₃OS
• Molecular Weight: 407.57
• CAS Registry Number: 101472-20-2
• SMILES: S=C=NC1=CC=C(C=C1)CCN2C[C@@H]([C@@H](CC2)N(C3=CC=CC=C3)C(=O)CC)C
• InChI: 1S/C24H29N3OS/c1-3-24(28)27(22-7-5-4-6-8-22)23-14-16-26(17-19(23)2)15-13-20-9-11-21(12-10-20)25-18-29/h4-12,19,23H,3,13-17H2,1-2H3/t19-,23+/m0/s1
• InChIKey: ZQESQBVNDBLWAM-WMZHIEFXSA-N

Properties

• Density: 1.121g/cm³ (Cal.)
• Boiling point: 545.958°C at 760 mmHg (Cal.)
• Flash point: 283.985°C (Cal.)