structure of N-benzyl-3-chloroaniline hydrochloride

N-benzyl-3-chloroaniline hydrochloride

CAS No.: 93445-15-9
M. Wt: 254.15
M. Fa: C13H13Cl2N
InChI Key: KTEGESCSRYVFGA-UHFFFAOYSA-N

Names and Identifiers of N-benzyl-3-chloroaniline hydrochloride

CAS Number

93445-15-9

EC Number

975-934-3

IUPAC Name

N-benzyl-3-chloroaniline;hydrochloride

InChI

InChI=1S/C13H12ClN.ClH/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11;/h1-9,15H,10H2;1H

InChIKey

KTEGESCSRYVFGA-UHFFFAOYSA-N

Canonical SMILES

C1=CC=C(C=C1)CNC2=CC(=CC=C2)Cl.Cl

Physical and chemical properties of N-benzyl-3-chloroaniline hydrochloride

Molecular Formula

C13H13Cl2N

Molecular Weight

254.15

Safety Information of N-benzyl-3-chloroaniline hydrochloride

Pictograms

Signal Word

Warning

Safety Data Sheet

Supports customized editing of SDS information and downloading in PDF documents.

Applications of N-benzyl-3-chloroaniline hydrochloride

N-benzyl-3-chloroaniline hydrochloride finds various applications:

  • Pharmaceuticals: Used as an intermediate in synthesizing drugs due to its biological activity.
  • Dyes and Pigments: Employed in producing azo dyes and other colorants.
  • Agricultural Chemicals: Investigated for use in developing herbicides and pesticides.

The compound's utility spans multiple industries, emphasizing its importance in chemical synthesis.

Interaction Studies of N-benzyl-3-chloroaniline hydrochloride

Studies on N-benzyl-3-chloroaniline hydrochloride focus on its interactions with biological targets, particularly enzymes. Molecular docking studies indicate that it binds effectively to acetylcholinesterase, suggesting a mechanism for its inhibitory effects. Further interaction studies could elucidate its potential therapeutic roles and inform drug design processes.

Biological Activity of N-benzyl-3-chloroaniline hydrochloride

Research indicates that N-benzyl-3-chloroaniline and its derivatives exhibit notable biological activities, particularly as enzyme inhibitors. For instance, studies have demonstrated that related compounds can inhibit acetylcholinesterase, an important enzyme in the cholinergic system, which suggests potential applications in treating neurological disorders. Additionally, some derivatives have shown antibacterial and antifungal properties, making them candidates for pharmaceutical development.

Retrosynthesis analysis of N-benzyl-3-chloroaniline hydrochloride

  • Route#1

    Cas:100-52-7
    Cas:108-42-9
    Cas:93445-15-9
  • Route#2

    Cas:100-44-7
    Cas:108-42-9
    Cas:93445-15-9