1,2-Benzenediamine, N1-ethyl-4-(trifluoromethyl)-
TL;DR: 1,2-Benzenediamine, N1-ethyl-4-(trifluoromethyl)- (CAS 30377-63-0) is a chemical compound with molecular formula C9H11F3N2 and molecular weight 204.08743 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-N-ethyl-4-(trifluoromethyl)benzene-1,2-diamine
Also Known As: 1,2-Benzenediamine, N1-ethyl-4-(trifluoromethyl)-, n1-ethyl-4-(trifluoromethyl)benzene-1,2-diamine, 1-N-ethyl-4-(trifluoromethyl)benzene-1,2-diamine, N-Ethyl-4-(trifluoromethyl)benzene-1,2-diamine, N1-ethyl-4-trifluoromethylbenzene-1,2-diamine
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H11F3N2 |
| Molecular Weight | 204.08743 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 38.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.08743 Da |
| Heavy Atoms | 14 |
| Complexity | 181.0 |
| SMILES | CCNC1=C(C=C(C=C1)C(F)(F)F)N |
| InChIKey | MOQFNDFDNBIIHW-UHFFFAOYSA-N |
Chemical Property Profile of 1,2-Benzenediamine, N1-ethyl-4-(trifluoromethyl)-
Property Insights of 1,2-Benzenediamine, N1-ethyl-4-(trifluoromethyl)-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzenediamine, N1-ethyl-4-(trifluoromethyl)-. With a topological polar surface area (TPSA) of 38.1 Ų, 1,2-Benzenediamine, N1-ethyl-4-(trifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benzenediamine, N1-ethyl-4-(trifluoromethyl)- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,2-Benzenediamine, N1-ethyl-4-(trifluoromethyl)-?
The CAS number of 1,2-Benzenediamine, N1-ethyl-4-(trifluoromethyl)- is 30377-63-0.
What is the molecular formula of 1,2-Benzenediamine, N1-ethyl-4-(trifluoromethyl)-?
The molecular formula of 1,2-Benzenediamine, N1-ethyl-4-(trifluoromethyl)- is C9H11F3N2.
What is the molecular weight of 1,2-Benzenediamine, N1-ethyl-4-(trifluoromethyl)-?
The molecular weight of 1,2-Benzenediamine, N1-ethyl-4-(trifluoromethyl)- is 204.08743 g/mol.
Where can I buy 1,2-Benzenediamine, N1-ethyl-4-(trifluoromethyl)-?
You can request a quote for 1,2-Benzenediamine, N1-ethyl-4-(trifluoromethyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2-Benzenediamine, N1-ethyl-4-(trifluoromethyl)-?
Yes, CoreyChem provides custom synthesis services for 1,2-Benzenediamine, N1-ethyl-4-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.