Benzoic acid, 4-chloro-, 2-(2,4-dichlorophenyl)-4-(hexahydro-1H-azepin-1-yl)butyl ester, hydrochloride

Base Information

• Chemical Name: Benzoic acid, 4-chloro-, 2-(2,4-dichlorophenyl)-4-(hexahydro-1H-azepin-1-yl)butyl ester, hydrochloride
• CAS No.: 119584-99-5
• Molecular Formula: C23H26 Cl3 N O2 . Cl H
• Molecular Weight: 491.278
• DSSTox Substance ID: DTXSID10923014
• Mol file: 119584-99-5.mol

Synonyms:SR 44100 A;119584-99-5;Benzoic acid, 4-chloro-, 2-(2,4-dichlorophenyl)-4-(hexahydro-1H-azepin-1-yl)butyl ester, hydrochloride;C23H26Cl3NO2.ClH;DTXSID10923014;C23-H26-Cl3-N-O2.Cl-H;LS-36426;4-(Azepan-1-yl)-2-(2,4-dichlorophenyl)butyl 4-chlorobenzoate--hydrogen chloride (1/1)

Chemical Property of Benzoic acid, 4-chloro-, 2-(2,4-dichlorophenyl)-4-(hexahydro-1H-azepin-1-yl)butyl ester, hydrochloride

Chemical Property:

• Vapor Pressure: 3.15E-12mmHg at 25°C
• Boiling Point: 551.9°Cat760mmHg
• Flash Point: 287.6°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 491.076640
• Heavy Atom Count: 30
• Complexity: 491

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCN(CC1)CCC(COC(=O)C2=CC=C(C=C2)Cl)C3=C(C=C(C=C3)Cl)Cl.Cl