2-Ethylaniline
TL;DR: 2-Ethylaniline (CAS 578-54-1) is a chemical compound with molecular formula C8H11N and molecular weight 121.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylaniline
Also Known As: 2-ETHYLANILINE, o-Ethylaniline, Benzenamine, 2-ethyl-, o-Aminoethylbenzene, 2-Ethylbenzenamine
| Molecular Formula | C8H11N |
|---|---|
| Molecular Weight | 121.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 121.08915 |
| Heavy Atoms | 9 |
| Complexity | 80.0 |
| Melting Point | -46.5 °C |
| Boiling Point | 209.65 °C |
| Density | 0.982 @ 20 °C |
| Solubility | Soluble in alcohol and toluene; insoluble in water |
| Flash Point | 85.0 °C (NFPA, 2010) |
| Vapor Pressure | 0.17 [mmHg] |
| Refractive Index | 1.5582 @ 22 °C |
Chemical Identifiers
| CAS Number | 578-54-1 |
|---|---|
| SMILES | CCC1=CC=CC=C1N |
| InChIKey | MLPVBIWIRCKMJV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethylaniline (CAS 578-54-1), with molecular formula C8H11N and molecular weight 121.09 g/mol. IUPAC: 2-ethylaniline.
Chemical Property Profile of 2-Ethylaniline
Property Insights of 2-Ethylaniline
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethylaniline. With a topological polar surface area (TPSA) of 26.0 Ų, 2-Ethylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylaniline has 1 hydrogen bond donor(s) and 1 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 2-Ethylaniline?
The CAS number of 2-Ethylaniline is 578-54-1.
What is the molecular formula of 2-Ethylaniline?
The molecular formula of 2-Ethylaniline is C8H11N.
What is the molecular weight of 2-Ethylaniline?
The molecular weight of 2-Ethylaniline is 121.09 g/mol.
Where can I buy 2-Ethylaniline?
You can request a quote for 2-Ethylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.