N-Ethyl-4-nitroaniline
TL;DR: N-Ethyl-4-nitroaniline (CAS 3665-80-3) is a chemical compound with molecular formula C8H10N2O2 and molecular weight 166.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-4-nitroaniline
Also Known As: N-Ethyl-4-nitroaniline, N-Ethyl-p-nitroaniline, Benzenamine, N-ethyl-4-nitro-, N-ETHYL-4-NITROBENZENAMINE, N-Ethyl-4-nitro-benzenamine
| Molecular Formula | C8H10N2O2 |
|---|---|
| Molecular Weight | 166.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.07423 |
| Heavy Atoms | 12 |
| Complexity | 148.0 |
| Melting Point | 96.1 °C |
| Solubility | 19.9 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 3665-80-3 |
|---|---|
| SMILES | CCNC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | XBNNLAWQCMDISJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Ethyl-4-nitroaniline (CAS 3665-80-3), with molecular formula C8H10N2O2 and molecular weight 166.07 g/mol. IUPAC: N-ethyl-4-nitroaniline.
Chemical Property Profile of N-Ethyl-4-nitroaniline
Property Insights of N-Ethyl-4-nitroaniline
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Ethyl-4-nitroaniline. With a topological polar surface area (TPSA) of 57.9 Ų, N-Ethyl-4-nitroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Ethyl-4-nitroaniline has 1 hydrogen bond donor(s) and 3 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-Ethyl-4-nitroaniline?
The CAS number of N-Ethyl-4-nitroaniline is 3665-80-3.
What is the molecular formula of N-Ethyl-4-nitroaniline?
The molecular formula of N-Ethyl-4-nitroaniline is C8H10N2O2.
What is the molecular weight of N-Ethyl-4-nitroaniline?
The molecular weight of N-Ethyl-4-nitroaniline is 166.07 g/mol.
Where can I buy N-Ethyl-4-nitroaniline?
You can request a quote for N-Ethyl-4-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Ethyl-4-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-Ethyl-4-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.