2-Isothiocyanato-N-Methyl-N-(2-(1-Pyrrolidinyl)Cyclohexyl)Benzeneacetamide
[CAS# 118243-28-0]

Identification

• Name: 2-Isothiocyanato-N-Methyl-N-(2-(1-Pyrrolidinyl)Cyclohexyl)Benzeneacetamide
• Synonyms: 2-(2-Isothiocyanatophenyl)-N-Methyl-N-[(1S,2S)-2-1-Pyrrolidinylcyclohexyl]Acetamide; 2-(2-Isothiocyanatophenyl)-N-Methyl-N-[(1S,2S)-2-Pyrrolidin-1-Ylcyclohexyl]Ethanamide; 2-Isothiocyanato-N-Methyl-N-(2-(1-Pyrrolidinyl)Cyclohexyl)Benzeneacetamide
• Molecular Formula: C₂₀H₂₇N₃OS
• Molecular Weight: 357.51
• CAS Registry Number: 118243-28-0
• SMILES: [C@@H]2(N(C(CC1=CC=CC=C1N=C=S)=O)C)[C@H](CCCC2)N3CCCC3
• InChI: 1S/C20H27N3OS/c1-22(18-10-4-5-11-19(18)23-12-6-7-13-23)20(24)14-16-8-2-3-9-17(16)21-15-25/h2-3,8-9,18-19H,4-7,10-14H2,1H3/t18-,19-/m0/s1
• InChIKey: DVQHPFMHNHWLJF-OALUTQOASA-N

Properties

• Density: 1.19g/cm³ (Cal.)
• Boiling point: 532.647°C at 760 mmHg (Cal.)
• Flash point: 275.935°C (Cal.)