4-[[(2S,4S)-2-[2-(4-Chlorophenyl)Ethyl]-2-(Imidazol-1-Ylmethyl)-1,3-Dioxolan-4-Yl]Methylsulfanyl]Aniline
[CAS# 143393-27-5]

Identification

• Name: 4-[[(2S,4S)-2-[2-(4-Chlorophenyl)Ethyl]-2-(Imidazol-1-Ylmethyl)-1,3-Dioxolan-4-Yl]Methylsulfanyl]Aniline
• Synonyms: 4-[[(2S,4S)-2-[2-(4-Chlorophenyl)Ethyl]-2-(1-Imidazolylmethyl)-1,3-Dioxolan-4-Yl]Methylthio]Aniline; [4-[[(2S,4S)-2-[2-(4-Chlorophenyl)Ethyl]-2-(Imidazol-1-Ylmethyl)-1,3-Dioxolan-4-Yl]Methylthio]Phenyl]Amine; Azalanstat Dihydrochloride [Usan]
• Molecular Formula: C₂₂H₂₄ClN₃O₂S
• Molecular Weight: 429.96
• CAS Registry Number: 143393-27-5
• SMILES: [C@@]2(O[C@H](CSC1=CC=C(C=C1)N)CO2)(C[N]3C=CN=C3)CCC4=CC=C(Cl)C=C4
• InChI: 1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22-/m0/s1
• InChIKey: VYNIUBZKEWJOJP-UNMCSNQZSA-N

Properties

• Density: 1.315g/cm³ (Cal.)
• Boiling point: 647.681°C at 760 mmHg (Cal.)
• Flash point: 345.505°C (Cal.)