2-Isothiocyanato-4,5-Dichloro-N-Methyl-N-(2-(1-Pyrrolidinyl)Cyclohexyl)Benzeneacetamide
[CAS# 122407-13-0]

Identification

• Name: 2-Isothiocyanato-4,5-Dichloro-N-Methyl-N-(2-(1-Pyrrolidinyl)Cyclohexyl)Benzeneacetamide
• Synonyms: 2-(4,5-Dichloro-2-Isothiocyanato-Phenyl)-N-Methyl-N-[(2S)-2-Pyrrolidin-1-Ylcyclohexyl]Acetamide; 2-(4,5-Dichloro-2-Isothiocyanatophenyl)-N-Methyl-N-[(2S)-2-1-Pyrrolidinylcyclohexyl]Acetamide; 2-(4,5-Dichloro-2-Isothiocyanato-Phenyl)-N-Methyl-N-[(2S)-2-Pyrrolidin-1-Ylcyclohexyl]Ethanamide
• Molecular Formula: C₂₀H₂₅Cl₂N₃OS
• Molecular Weight: 426.40
• CAS Registry Number: 122407-13-0
• SMILES: N(C(CC1=CC(=C(C=C1N=C=S)Cl)Cl)=O)(C2[C@H](CCCC2)N3CCCC3)C
• InChI: 1S/C20H25Cl2N3OS/c1-24(18-6-2-3-7-19(18)25-8-4-5-9-25)20(26)11-14-10-15(21)16(22)12-17(14)23-13-27/h10,12,18-19H,2-9,11H2,1H3/t18?,19-/m0/s1
• InChIKey: SPEPFQRDPVNKTR-GGYWPGCISA-N

Properties

• Density: 1.337g/cm³ (Cal.)
• Boiling point: 575.357°C at 760 mmHg (Cal.)
• Flash point: 301.765°C (Cal.)