2-(3,4-Dichlorophenyl)-N-[(1S)-1-(3-Isothiocyanatophenyl)-2-Pyrrolidin-1-Ylethyl]-N-Methylacetamide
[CAS# 155512-49-5]

Identification

• Name: 2-(3,4-Dichlorophenyl)-N-[(1S)-1-(3-Isothiocyanatophenyl)-2-Pyrrolidin-1-Ylethyl]-N-Methylacetamide
• Synonyms: 2-(3,4-Dichlorophenyl)-N-[(1S)-1-(3-Isothiocyanatophenyl)-2-Pyrrolidin-1-Yl-Ethyl]-N-Methyl-Acetamide; 2-(3,4-Dichlorophenyl)-N-[(1S)-1-(3-Isothiocyanatophenyl)-2-1-Pyrrolidinylethyl]-N-Methylacetamide; 2-(3,4-Dichlorophenyl)-N-[(1S)-1-(3-Isothiocyanatophenyl)-2-Pyrrolidin-1-Yl-Ethyl]-N-Methyl-Ethanamide
• Molecular Formula: C₂₂H₂₃Cl₂N₃OS
• Molecular Weight: 448.41
• CAS Registry Number: 155512-49-5
• SMILES: S=C=NC1=CC(=CC=C1)[C@H](N(C(=O)CC2=CC(=C(Cl)C=C2)Cl)C)CN3CCCC3
• InChI: 1S/C22H23Cl2N3OS/c1-26(22(28)12-16-7-8-19(23)20(24)11-16)21(14-27-9-2-3-10-27)17-5-4-6-18(13-17)25-15-29/h4-8,11,13,21H,2-3,9-10,12,14H2,1H3/t21-/m1/s1
• InChIKey: BNAKCEFXXMHXDQ-OAQYLSRUSA-N

Properties

• Density: 1.277g/cm³ (Cal.)
• Boiling point: 608.821°C at 760 mmHg (Cal.)
• Flash point: 322.003°C (Cal.)