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

Base Information

• Chemical Name: Benzoic acid, 2,4-dichloro-, 4-(hexahydro-1H-azepin-1-yl)-2-(2-naphthalenyl)butyl ester, hydrochloride
• CAS No.: 119584-96-2
• Molecular Formula: C27H29 Cl2 N O2 . Cl H
• Molecular Weight: 506.8916
• DSSTox Substance ID: DTXSID30923011

Synonyms:SR 44026 A;119584-96-2;Benzoic acid, 2,4-dichloro-, 4-(hexahydro-1H-azepin-1-yl)-2-(2-naphthalenyl)butyl ester, hydrochloride;C27H29Cl2NO2.ClH;DTXSID30923011;C27-H29-Cl2-N-O2.Cl-H;LS-36827;4-(Azepan-1-yl)-2-(naphthalen-2-yl)butyl 2,4-dichlorobenzoate--hydrogen chloride (1/1)

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

Chemical Property:

• Vapor Pressure: 2.43E-14mmHg at 25°C
• Boiling Point: 599.7°Cat760mmHg
• Flash Point: 316.5°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 505.134212
• Heavy Atom Count: 33
• Complexity: 580

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCN(CC1)CCC(COC(=O)C2=C(C=C(C=C2)Cl)Cl)C3=CC4=CC=CC=C4C=C3.Cl

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