Benzenamine, N-ethyl-2-nitro-4-(trifluoromethyl)-
TL;DR: Benzenamine, N-ethyl-2-nitro-4-(trifluoromethyl)- (CAS 30377-62-9) 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-ethyl-2-nitro-4-(trifluoromethyl)aniline
Also Known As: N-Ethyl-2-nitro-4-(trifluoromethyl)aniline, N-Ethyl-2-nitro-4-trifluoromethylaniline, Benzenamine, N-ethyl-2-nitro-4-(trifluoromethyl)-, N-ETHYL2-NITRO-4- ANILINE, 3-nitro-4-ethylamino-benzotrifluoride
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H9F3N2O2 |
| Molecular Weight | 234.06161 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.06161 Da |
| Heavy Atoms | 16 |
| Complexity | 252.0 |
| SMILES | CCNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-] |
| InChIKey | XGYBRXYMSSZKPY-UHFFFAOYSA-N |
Chemical Property Profile of Benzenamine, N-ethyl-2-nitro-4-(trifluoromethyl)-
Property Insights of Benzenamine, N-ethyl-2-nitro-4-(trifluoromethyl)-
The XLogP value of 3.0 indicates that Benzenamine, N-ethyl-2-nitro-4-(trifluoromethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.9 Ų, Benzenamine, N-ethyl-2-nitro-4-(trifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenamine, N-ethyl-2-nitro-4-(trifluoromethyl)- has 1 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 Benzenamine, N-ethyl-2-nitro-4-(trifluoromethyl)-?
The CAS number of Benzenamine, N-ethyl-2-nitro-4-(trifluoromethyl)- is 30377-62-9.
What is the molecular formula of Benzenamine, N-ethyl-2-nitro-4-(trifluoromethyl)-?
The molecular formula of Benzenamine, N-ethyl-2-nitro-4-(trifluoromethyl)- is C9H9F3N2O2.
What is the molecular weight of Benzenamine, N-ethyl-2-nitro-4-(trifluoromethyl)-?
The molecular weight of Benzenamine, N-ethyl-2-nitro-4-(trifluoromethyl)- is 234.06161 g/mol.
Where can I buy Benzenamine, N-ethyl-2-nitro-4-(trifluoromethyl)-?
You can request a quote for Benzenamine, N-ethyl-2-nitro-4-(trifluoromethyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzenamine, N-ethyl-2-nitro-4-(trifluoromethyl)-?
Yes, CoreyChem provides custom synthesis services for Benzenamine, N-ethyl-2-nitro-4-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.