2-(Methylamino)benzotrifluoride hydrochloride
TL;DR: 2-(Methylamino)benzotrifluoride hydrochloride (CAS 845866-58-2) is a chemical compound with molecular formula C8H9ClF3N and molecular weight 211.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-2-(trifluoromethyl)aniline;hydrochloride
Also Known As: 2-(Methylamino)benzotrifluoride hydrochloride, N-methyl-2-(trifluoromethyl)aniline;hydrochloride, N-methyl-2-(trifluoromethyl)aniline Hydrochloride, 2-(Methylamino)benzotrifluoridehydrochloride, N-methyl-2-(trifluoromethyl)aniline,hydrochloride
| Molecular Formula | C8H9ClF3N |
|---|---|
| Molecular Weight | 211.04 g/mol |
| LogP | 3.1689 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 211.03757 |
| Heavy Atoms | 13 |
| Complexity | 272.3368 |
Chemical Identifiers
| CAS Number | 845866-58-2 |
|---|---|
| SMILES | CNC1=CC=CC=C1C(F)(F)F.Cl |
Product Overview
2-(Methylamino)benzotrifluoride hydrochloride (CAS 845866-58-2), with molecular formula C8H9ClF3N and molecular weight 211.04 g/mol. IUPAC: N-methyl-2-(trifluoromethyl)aniline;hydrochloride.
Chemical Property Profile of 2-(Methylamino)benzotrifluoride hydrochloride
Property Insights of 2-(Methylamino)benzotrifluoride hydrochloride
The XLogP value of 3.1689 indicates that 2-(Methylamino)benzotrifluoride hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, 2-(Methylamino)benzotrifluoride hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Methylamino)benzotrifluoride hydrochloride has 1 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-(Methylamino)benzotrifluoride hydrochloride?
The CAS number of 2-(Methylamino)benzotrifluoride hydrochloride is 845866-58-2.
What is the molecular formula of 2-(Methylamino)benzotrifluoride hydrochloride?
The molecular formula of 2-(Methylamino)benzotrifluoride hydrochloride is C8H9ClF3N.
What is the molecular weight of 2-(Methylamino)benzotrifluoride hydrochloride?
The molecular weight of 2-(Methylamino)benzotrifluoride hydrochloride is 211.04 g/mol.
Where can I buy 2-(Methylamino)benzotrifluoride hydrochloride?
You can request a quote for 2-(Methylamino)benzotrifluoride hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methylamino)benzotrifluoride hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylamino)benzotrifluoride hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.