2-Chloro-N,N,4-trimethylbenzenamine
TL;DR: 2-Chloro-N,N,4-trimethylbenzenamine (CAS 196803-74-4) is a chemical compound with molecular formula C9H12ClN and molecular weight 169.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N,N,4-trimethylaniline
Also Known As: 2-chloro-N,N,4-trimethylaniline, 2-Chloro-N,N,4-trimethylbenzenamine, 2-chloro-N,N,4-trimethyl-aniline, 2-CHLORO-N,N-DIMETHYL-P-TOLUIDINE, Benzenamine, 2-chloro-N,N,4-trimethyl-
| Molecular Formula | C9H12ClN |
|---|---|
| Molecular Weight | 169.07 g/mol |
| LogP | 2.71442 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.06583 |
| Heavy Atoms | 11 |
| Complexity | 255.73969 |
Chemical Identifiers
| CAS Number | 196803-74-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N(C)C)Cl |
Product Overview
2-Chloro-N,N,4-trimethylbenzenamine (CAS 196803-74-4), with molecular formula C9H12ClN and molecular weight 169.07 g/mol. IUPAC: 2-chloro-N,N,4-trimethylaniline.
Chemical Property Profile of 2-Chloro-N,N,4-trimethylbenzenamine
Property Insights of 2-Chloro-N,N,4-trimethylbenzenamine
The XLogP value of 2.71442 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-N,N,4-trimethylbenzenamine. With a topological polar surface area (TPSA) of 3.24 Ų, 2-Chloro-N,N,4-trimethylbenzenamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-N,N,4-trimethylbenzenamine 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 2-Chloro-N,N,4-trimethylbenzenamine?
The CAS number of 2-Chloro-N,N,4-trimethylbenzenamine is 196803-74-4.
What is the molecular formula of 2-Chloro-N,N,4-trimethylbenzenamine?
The molecular formula of 2-Chloro-N,N,4-trimethylbenzenamine is C9H12ClN.
What is the molecular weight of 2-Chloro-N,N,4-trimethylbenzenamine?
The molecular weight of 2-Chloro-N,N,4-trimethylbenzenamine is 169.07 g/mol.
Where can I buy 2-Chloro-N,N,4-trimethylbenzenamine?
You can request a quote for 2-Chloro-N,N,4-trimethylbenzenamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-N,N,4-trimethylbenzenamine?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-N,N,4-trimethylbenzenamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.