5-Chloro-N,N-dimethyl-O-toluidine
TL;DR: 5-Chloro-N,N-dimethyl-O-toluidine (CAS 136041-67-3) 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.
5-chloro-N,N,2-trimethylaniline
Also Known As: 5-chloro-N,N,2-trimethylaniline, 5-CHLORO-N,N-DIMETHYL-O-TOLUIDINE, (5-chloro-2-methylphenyl)dimethylamine, N-(5-chloro-2-methylphenyl)-N,N-dimethylamine, AE-562/43286938
| 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 | 136041-67-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)N(C)C |
Product Overview
5-Chloro-N,N-dimethyl-O-toluidine (CAS 136041-67-3), with molecular formula C9H12ClN and molecular weight 169.07 g/mol. IUPAC: 5-chloro-N,N,2-trimethylaniline.
Chemical Property Profile of 5-Chloro-N,N-dimethyl-O-toluidine
Property Insights of 5-Chloro-N,N-dimethyl-O-toluidine
The XLogP value of 2.71442 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-N,N-dimethyl-O-toluidine. With a topological polar surface area (TPSA) of 3.24 Ų, 5-Chloro-N,N-dimethyl-O-toluidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-N,N-dimethyl-O-toluidine 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 5-Chloro-N,N-dimethyl-O-toluidine?
The CAS number of 5-Chloro-N,N-dimethyl-O-toluidine is 136041-67-3.
What is the molecular formula of 5-Chloro-N,N-dimethyl-O-toluidine?
The molecular formula of 5-Chloro-N,N-dimethyl-O-toluidine is C9H12ClN.
What is the molecular weight of 5-Chloro-N,N-dimethyl-O-toluidine?
The molecular weight of 5-Chloro-N,N-dimethyl-O-toluidine is 169.07 g/mol.
Where can I buy 5-Chloro-N,N-dimethyl-O-toluidine?
You can request a quote for 5-Chloro-N,N-dimethyl-O-toluidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-N,N-dimethyl-O-toluidine?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-N,N-dimethyl-O-toluidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.