Alpha,alpha,alpha-trifluoro-M-toluidine hydrochloride
TL;DR: Alpha,alpha,alpha-trifluoro-M-toluidine hydrochloride (CAS 2646-97-1) is a chemical compound with molecular formula C7H7ClF3N and molecular weight 197.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(trifluoromethyl)aniline;hydrochloride
Also Known As: 3-(trifluoromethyl)aniline hydrochloride, Aniline, hydrochloride, Benzenamine, hydrochloride, m-Aminotrifluorotoluene hydrochloride, m-Trifluoromethylaniline hydrochloride
| Molecular Formula | C7H7ClF3N |
|---|---|
| Molecular Weight | 197.02 g/mol |
| LogP | 2.7094 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 197.02191 |
| Heavy Atoms | 12 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 2646-97-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N)C(F)(F)F.Cl |
| InChIKey | RGHFRKJSEQEKCV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Alpha,alpha,alpha-trifluoro-M-toluidine hydrochloride (CAS 2646-97-1), with molecular formula C7H7ClF3N and molecular weight 197.02 g/mol. IUPAC: 3-(trifluoromethyl)aniline;hydrochloride.
Chemical Property Profile of Alpha,alpha,alpha-trifluoro-M-toluidine hydrochloride
Property Insights of Alpha,alpha,alpha-trifluoro-M-toluidine hydrochloride
The XLogP value of 2.7094 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alpha,alpha,alpha-trifluoro-M-toluidine hydrochloride. With a topological polar surface area (TPSA) of 26.0 Ų, Alpha,alpha,alpha-trifluoro-M-toluidine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Alpha,alpha,alpha-trifluoro-M-toluidine hydrochloride has 2 hydrogen bond donor(s) and 4 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 Alpha,alpha,alpha-trifluoro-M-toluidine hydrochloride?
The CAS number of Alpha,alpha,alpha-trifluoro-M-toluidine hydrochloride is 2646-97-1.
What is the molecular formula of Alpha,alpha,alpha-trifluoro-M-toluidine hydrochloride?
The molecular formula of Alpha,alpha,alpha-trifluoro-M-toluidine hydrochloride is C7H7ClF3N.
What is the molecular weight of Alpha,alpha,alpha-trifluoro-M-toluidine hydrochloride?
The molecular weight of Alpha,alpha,alpha-trifluoro-M-toluidine hydrochloride is 197.02 g/mol.
Where can I buy Alpha,alpha,alpha-trifluoro-M-toluidine hydrochloride?
You can request a quote for Alpha,alpha,alpha-trifluoro-M-toluidine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alpha,alpha,alpha-trifluoro-M-toluidine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Alpha,alpha,alpha-trifluoro-M-toluidine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.