N,N-dimethyl-2-nitro-4-(trifluoromethyl)aniline
TL;DR: N,N-dimethyl-2-nitro-4-(trifluoromethyl)aniline (CAS 13931-24-3) is a chemical compound with molecular formula C9H9F3N2O2 and molecular weight 234.06161 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-dimethyl-2-nitro-4-(trifluoromethyl)aniline
Also Known As: N,N-dimethyl-2-nitro-4-(trifluoromethyl)aniline, 4-dimethylamino-3-nitrobenzotrifluoride, 4-(Dimethylamino)-3-nitrobenzotrifluoride, 2791AE, 4-(Dimethylamino)-3-nitrobenzotrifluorid
Technical Specifications
| Molecular Formula | C9H9F3N2O2 |
| Molecular Weight | 234.06161 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.06161 Da |
| Heavy Atoms | 16 |
| Complexity | 262.0 |
| SMILES | CN(C)C1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-] |
| InChIKey | FDGCMYGPTQRTMZ-UHFFFAOYSA-N |
Chemical Property Profile of N,N-dimethyl-2-nitro-4-(trifluoromethyl)aniline
Property Insights of N,N-dimethyl-2-nitro-4-(trifluoromethyl)aniline
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-dimethyl-2-nitro-4-(trifluoromethyl)aniline. With a topological polar surface area (TPSA) of 49.1 Ų, N,N-dimethyl-2-nitro-4-(trifluoromethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-dimethyl-2-nitro-4-(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
What is the CAS number of N,N-dimethyl-2-nitro-4-(trifluoromethyl)aniline?
The CAS number of N,N-dimethyl-2-nitro-4-(trifluoromethyl)aniline is 13931-24-3.
What is the molecular formula of N,N-dimethyl-2-nitro-4-(trifluoromethyl)aniline?
The molecular formula of N,N-dimethyl-2-nitro-4-(trifluoromethyl)aniline is C9H9F3N2O2.
What is the molecular weight of N,N-dimethyl-2-nitro-4-(trifluoromethyl)aniline?
The molecular weight of N,N-dimethyl-2-nitro-4-(trifluoromethyl)aniline is 234.06161 g/mol.
Where can I buy N,N-dimethyl-2-nitro-4-(trifluoromethyl)aniline?
You can request a quote for N,N-dimethyl-2-nitro-4-(trifluoromethyl)aniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N,N-dimethyl-2-nitro-4-(trifluoromethyl)aniline?
Yes, CoreyChem provides custom synthesis services for N,N-dimethyl-2-nitro-4-(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.