N-benzyl-3-chloroaniline hydrochloride
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
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.
