N1-(2-Nitro-4-(trifluoromethyl)phenyl)-1,2-ethanediamine
TL;DR: N1-(2-Nitro-4-(trifluoromethyl)phenyl)-1,2-ethanediamine (CAS 161605-61-4) is a chemical compound with molecular formula C9H10F3N3O2 and molecular weight 249.07251 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N'-[2-nitro-4-(trifluoromethyl)phenyl]ethane-1,2-diamine
Also Known As: ZERO/006274, N1-(2-Nitro-4-(trifluoromethyl)phenyl)ethane-1,2-diamine, n1-(2-nitro-4-trifluoromethyl-phenyl)-ethane-1,2-diamine, N'-[2-nitro-4-(trifluoromethyl)phenyl]ethane-1,2-diamine, n1-(2-nitro-4-trifluoromethylphenyl)ethane-1,2-diamine
Technical Specifications
| Molecular Formula | C9H10F3N3O2 |
| Molecular Weight | 249.07251 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 83.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.07251 Da |
| Heavy Atoms | 17 |
| Complexity | 267.0 |
| SMILES | C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])NCCN |
| InChIKey | ZKBIYCKAMFKCNV-UHFFFAOYSA-N |
Chemical Property Profile of N1-(2-Nitro-4-(trifluoromethyl)phenyl)-1,2-ethanediamine
Property Insights of N1-(2-Nitro-4-(trifluoromethyl)phenyl)-1,2-ethanediamine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N1-(2-Nitro-4-(trifluoromethyl)phenyl)-1,2-ethanediamine. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N1-(2-Nitro-4-(trifluoromethyl)phenyl)-1,2-ethanediamine. Following Lipinski's Rule of Five, N1-(2-Nitro-4-(trifluoromethyl)phenyl)-1,2-ethanediamine has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N1-(2-Nitro-4-(trifluoromethyl)phenyl)-1,2-ethanediamine?
The CAS number of N1-(2-Nitro-4-(trifluoromethyl)phenyl)-1,2-ethanediamine is 161605-61-4.
What is the molecular formula of N1-(2-Nitro-4-(trifluoromethyl)phenyl)-1,2-ethanediamine?
The molecular formula of N1-(2-Nitro-4-(trifluoromethyl)phenyl)-1,2-ethanediamine is C9H10F3N3O2.
What is the molecular weight of N1-(2-Nitro-4-(trifluoromethyl)phenyl)-1,2-ethanediamine?
The molecular weight of N1-(2-Nitro-4-(trifluoromethyl)phenyl)-1,2-ethanediamine is 249.07251 g/mol.
Where can I buy N1-(2-Nitro-4-(trifluoromethyl)phenyl)-1,2-ethanediamine?
You can request a quote for N1-(2-Nitro-4-(trifluoromethyl)phenyl)-1,2-ethanediamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N1-(2-Nitro-4-(trifluoromethyl)phenyl)-1,2-ethanediamine?
Yes, CoreyChem provides custom synthesis services for N1-(2-Nitro-4-(trifluoromethyl)phenyl)-1,2-ethanediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.