3-Chloro-4-methylaniline hydrochloride
TL;DR: 3-Chloro-4-methylaniline hydrochloride (CAS 7745-89-3) is a chemical compound with molecular formula C7H9Cl2N and molecular weight 177.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-methylaniline;hydrochloride
Also Known As: 3-Chloro-4-methylaniline hydrochloride, Starlicide, Caswell No. 216A, CPTH, 3-CHLORO-P-TOLUIDINE HYDROCHLORIDE
| Molecular Formula | C7H9Cl2N |
|---|---|
| Molecular Weight | 177.01 g/mol |
| LogP | 2.65 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.0112 |
| Heavy Atoms | 10 |
| Complexity | 94.0 |
| Vapor Pressure | 0.000105 [mmHg] |
Chemical Identifiers
| CAS Number | 7745-89-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N)Cl.Cl |
| InChIKey | YOQUZCNSUOJWQS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-4-methylaniline hydrochloride (CAS 7745-89-3), with molecular formula C7H9Cl2N and molecular weight 177.01 g/mol. IUPAC: 3-chloro-4-methylaniline;hydrochloride.
Chemical Property Profile of 3-Chloro-4-methylaniline hydrochloride
Property Insights of 3-Chloro-4-methylaniline hydrochloride
The XLogP value of 2.65 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-4-methylaniline hydrochloride. With a topological polar surface area (TPSA) of 26.0 Ų, 3-Chloro-4-methylaniline hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-methylaniline hydrochloride has 2 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 3-Chloro-4-methylaniline hydrochloride?
The CAS number of 3-Chloro-4-methylaniline hydrochloride is 7745-89-3.
What is the molecular formula of 3-Chloro-4-methylaniline hydrochloride?
The molecular formula of 3-Chloro-4-methylaniline hydrochloride is C7H9Cl2N.
What is the molecular weight of 3-Chloro-4-methylaniline hydrochloride?
The molecular weight of 3-Chloro-4-methylaniline hydrochloride is 177.01 g/mol.
Where can I buy 3-Chloro-4-methylaniline hydrochloride?
You can request a quote for 3-Chloro-4-methylaniline hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4-methylaniline hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-methylaniline hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.