3-Ethylaniline
TL;DR: 3-Ethylaniline (CAS 587-02-0) 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.
3-ethylaniline
Also Known As: 3-Ethylaniline, m-Ethylaniline, Benzenamine, 3-ethyl-, 3-Ethylbenzenamine, 3-Ethylphenylamine
| Molecular Formula | C8H11N |
|---|---|
| Molecular Weight | 121.09 g/mol |
| LogP | 2.1 |
| 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 |
Chemical Identifiers
| CAS Number | 587-02-0 |
|---|---|
| SMILES | CCC1=CC(=CC=C1)N |
| InChIKey | AMKPQMFZCBTTAT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Ethylaniline (CAS 587-02-0), with molecular formula C8H11N and molecular weight 121.09 g/mol. IUPAC: 3-ethylaniline.
Chemical Property Profile of 3-Ethylaniline
Property Insights of 3-Ethylaniline
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethylaniline. With a topological polar surface area (TPSA) of 26.0 Ų, 3-Ethylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-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 3-Ethylaniline?
The CAS number of 3-Ethylaniline is 587-02-0.
What is the molecular formula of 3-Ethylaniline?
The molecular formula of 3-Ethylaniline is C8H11N.
What is the molecular weight of 3-Ethylaniline?
The molecular weight of 3-Ethylaniline is 121.09 g/mol.
Where can I buy 3-Ethylaniline?
You can request a quote for 3-Ethylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethylaniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.