N,N-dimethyl-4-nitro-2-(trifluoromethyl)aniline
TL;DR: N,N-dimethyl-4-nitro-2-(trifluoromethyl)aniline (CAS 54672-09-2) is a chemical compound with molecular formula C9H9F3N2O2 and molecular weight 234.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-4-nitro-2-(trifluoromethyl)aniline
Also Known As: N,N-dimethyl-4-nitro-2-(trifluoromethyl)aniline, 2-Trifluoromethyl-N,N-dimethyl-4-nitroaniline, 2-Dimethylamino-5-nitrobenzotrifluoride, Dimethyl-(4-nitro-2-trifluoromethyl-phenyl)-amine, 2-Trifluoromethyl-NN-dimethyl-4-nitroaniline
| Molecular Formula | C9H9F3N2O2 |
|---|---|
| Molecular Weight | 234.06 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.06161 |
| Heavy Atoms | 16 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 54672-09-2 |
|---|---|
| SMILES | CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F |
| InChIKey | OIZCWRMHLSZGKT-UHFFFAOYSA-N |
Product Overview
N,N-dimethyl-4-nitro-2-(trifluoromethyl)aniline (CAS 54672-09-2), with molecular formula C9H9F3N2O2 and molecular weight 234.06 g/mol. IUPAC: N,N-dimethyl-4-nitro-2-(trifluoromethyl)aniline.
Chemical Property Profile of N,N-dimethyl-4-nitro-2-(trifluoromethyl)aniline
Property Insights of N,N-dimethyl-4-nitro-2-(trifluoromethyl)aniline
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-dimethyl-4-nitro-2-(trifluoromethyl)aniline. With a topological polar surface area (TPSA) of 49.1 Ų, N,N-dimethyl-4-nitro-2-(trifluoromethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-dimethyl-4-nitro-2-(trifluoromethyl)aniline has 0 hydrogen bond donor(s) and 6 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 N,N-dimethyl-4-nitro-2-(trifluoromethyl)aniline?
The CAS number of N,N-dimethyl-4-nitro-2-(trifluoromethyl)aniline is 54672-09-2.
What is the molecular formula of N,N-dimethyl-4-nitro-2-(trifluoromethyl)aniline?
The molecular formula of N,N-dimethyl-4-nitro-2-(trifluoromethyl)aniline is C9H9F3N2O2.
What is the molecular weight of N,N-dimethyl-4-nitro-2-(trifluoromethyl)aniline?
The molecular weight of N,N-dimethyl-4-nitro-2-(trifluoromethyl)aniline is 234.06 g/mol.
Where can I buy N,N-dimethyl-4-nitro-2-(trifluoromethyl)aniline?
You can request a quote for N,N-dimethyl-4-nitro-2-(trifluoromethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-dimethyl-4-nitro-2-(trifluoromethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N,N-dimethyl-4-nitro-2-(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.