N-benzyl-3,4-dichloroaniline
TL;DR: N-benzyl-3,4-dichloroaniline (CAS 51597-75-2) is a chemical compound with molecular formula C13H11Cl2N and molecular weight 251.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-3,4-dichloroaniline
Also Known As: N-benzyl-3,4-dichloroaniline, N-benzyl-3,4-dichloro-aniline, Benzenemethanamine, N-(3,4-dichlorophenyl)-, N-(3,4-Dichlorophenyl)benzylamine, Benzenemethanamine,N-(3,4-dichlorophenyl)
| Molecular Formula | C13H11Cl2N |
|---|---|
| Molecular Weight | 251.03 g/mol |
| LogP | 4.6055 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.02686 |
| Heavy Atoms | 16 |
| Complexity | 468.61374 |
Chemical Identifiers
| CAS Number | 51597-75-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=CC(=C(C=C2)Cl)Cl |
Product Overview
N-benzyl-3,4-dichloroaniline (CAS 51597-75-2), with molecular formula C13H11Cl2N and molecular weight 251.03 g/mol. IUPAC: N-benzyl-3,4-dichloroaniline.
Chemical Property Profile of N-benzyl-3,4-dichloroaniline
Property Insights of N-benzyl-3,4-dichloroaniline
The XLogP value of 4.6055 indicates that N-benzyl-3,4-dichloroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, N-benzyl-3,4-dichloroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-3,4-dichloroaniline has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-benzyl-3,4-dichloroaniline?
The CAS number of N-benzyl-3,4-dichloroaniline is 51597-75-2.
What is the molecular formula of N-benzyl-3,4-dichloroaniline?
The molecular formula of N-benzyl-3,4-dichloroaniline is C13H11Cl2N.
What is the molecular weight of N-benzyl-3,4-dichloroaniline?
The molecular weight of N-benzyl-3,4-dichloroaniline is 251.03 g/mol.
Where can I buy N-benzyl-3,4-dichloroaniline?
You can request a quote for N-benzyl-3,4-dichloroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-3,4-dichloroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-3,4-dichloroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.