N,N-Dimethyl-3-chloroaniline
TL;DR: N,N-Dimethyl-3-chloroaniline (CAS 6848-13-1) is a chemical compound with molecular formula C8H10ClN and molecular weight 155.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N,N-dimethylaniline
Also Known As: 3-Chloro-N,N-dimethylaniline, N,N-Dimethyl-3-chloroaniline, 3-Chloro-NN-dimethylaniline, Benzenamine, 3-chloro-N,N-dimethyl-, n,n-dimethyl-m-chloroaniline
| Molecular Formula | C8H10ClN |
|---|---|
| Molecular Weight | 155.05 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 155.05017 |
| Heavy Atoms | 10 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 6848-13-1 |
|---|---|
| SMILES | CN(C)C1=CC(=CC=C1)Cl |
| InChIKey | CHHCCYVOJBBCIY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N-Dimethyl-3-chloroaniline (CAS 6848-13-1), with molecular formula C8H10ClN and molecular weight 155.05 g/mol. IUPAC: 3-chloro-N,N-dimethylaniline.
Chemical Property Profile of N,N-Dimethyl-3-chloroaniline
Property Insights of N,N-Dimethyl-3-chloroaniline
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-Dimethyl-3-chloroaniline. With a topological polar surface area (TPSA) of 3.2 Ų, N,N-Dimethyl-3-chloroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Dimethyl-3-chloroaniline has 0 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,N-Dimethyl-3-chloroaniline?
The CAS number of N,N-Dimethyl-3-chloroaniline is 6848-13-1.
What is the molecular formula of N,N-Dimethyl-3-chloroaniline?
The molecular formula of N,N-Dimethyl-3-chloroaniline is C8H10ClN.
What is the molecular weight of N,N-Dimethyl-3-chloroaniline?
The molecular weight of N,N-Dimethyl-3-chloroaniline is 155.05 g/mol.
Where can I buy N,N-Dimethyl-3-chloroaniline?
You can request a quote for N,N-Dimethyl-3-chloroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Dimethyl-3-chloroaniline?
Yes, KEHONG BIO provides custom synthesis services for N,N-Dimethyl-3-chloroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.