N-[4-(3-{[2-(3,4-Dichlorophenyl)ethyl](methyl)amino}-2-hydroxypropoxy)phenyl]methanesulfonamide benzoate
[CAS# 178894-81-0]

Identification

• Name: N-[4-(3-{[2-(3,4-Dichlorophenyl)ethyl](methyl)amino}-2-hydroxypropoxy)phenyl]methanesulfonamide benzoate
• Synonyms: Benzoic Acid; N-[4-[3-[2-(3,4-Dichlorophenyl)Ethyl-Methyl-Amino]-2-Hydroxy-Propoxy]Phenyl]Methanesulfonamide; 1-(4-Methanesulfonamidophenoxy)-3-(N-Methyl-3,4-Dichlorophenylethylamino)-2-Propanol, Benzoic Acid Salt; Am 92016
• Molecular Formula: C₂₆H₃₀Cl₂N₂O₆S
• Molecular Weight: 569.50
• CAS Registry Number: 178894-81-0
• SMILES: C1=C(Cl)C(=CC=C1CCN(CC(O)COC2=CC=C(N[S](=O)(=O)C)C=C2)C)Cl.C3=C(C(=O)O)C=CC=C3
• InChI: 1S/C19H24Cl2N2O4S.C7H6O2/c1-23(10-9-14-3-8-18(20)19(21)11-14)12-16(24)13-27-17-6-4-15(5-7-17)22-28(2,25)26;8-7(9)6-4-2-1-3-5-6/h3-8,11,16,22,24H,9-10,12-13H2,1-2H3;1-5H,(H,8,9)
• InChIKey: KLXOTINBPRNEFS-UHFFFAOYSA-N

Properties

• Boiling point: 602.9°C at 760 mmHg (Cal.)
• Flash point: 318.4°C (Cal.)