4-Ethylaniline
TL;DR: 4-Ethylaniline (CAS 589-16-2) 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.
4-ethylaniline
Also Known As: 4-ETHYLANILINE, p-Ethylaniline, Benzenamine, 4-ethyl-, 4-Ethylphenylamine, Aniline, 4-ethyl-
| Molecular Formula | C8H11N |
|---|---|
| Molecular Weight | 121.09 g/mol |
| LogP | 2.0 |
| 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 | 72.0 |
Chemical Identifiers
| CAS Number | 589-16-2 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N |
| InChIKey | HRXZRAXKKNUKRF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Ethylaniline (CAS 589-16-2), with molecular formula C8H11N and molecular weight 121.09 g/mol. IUPAC: 4-ethylaniline.
Chemical Property Profile of 4-Ethylaniline
Property Insights of 4-Ethylaniline
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethylaniline. With a topological polar surface area (TPSA) of 26.0 Ų, 4-Ethylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-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 4-Ethylaniline?
The CAS number of 4-Ethylaniline is 589-16-2.
What is the molecular formula of 4-Ethylaniline?
The molecular formula of 4-Ethylaniline is C8H11N.
What is the molecular weight of 4-Ethylaniline?
The molecular weight of 4-Ethylaniline is 121.09 g/mol.
Where can I buy 4-Ethylaniline?
You can request a quote for 4-Ethylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethylaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.