N-Ethylaniline
TL;DR: N-Ethylaniline (CAS 103-69-5) 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.
N-ethylaniline
Also Known As: N-ETHYLANILINE, Ethylaniline, Ethylphenylamine, Anilinoethane, N-Ethylbenzenamine
| Molecular Formula | C8H11N |
|---|---|
| Molecular Weight | 121.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 121.08915 |
| Heavy Atoms | 9 |
| Complexity | 65.0 |
| Melting Point | -63.5 °C |
| Boiling Point | 204.7 °C at 760 mmHg |
| Density | 0.958 at 25.0 °C - Less dense than water; will float |
| Solubility | less than 1 mg/mL at 72 °F (NTP, 1992) |
| Flash Point | 85.0 °C |
| Vapor Pressure | 1 mmHg at 38.5 °C |
| Refractive Index | Very refractive; 1.5559 @ 20 °C |
Chemical Identifiers
| CAS Number | 103-69-5 |
|---|---|
| SMILES | CCNC1=CC=CC=C1 |
| InChIKey | OJGMBLNIHDZDGS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Ethylaniline (CAS 103-69-5), with molecular formula C8H11N and molecular weight 121.09 g/mol. IUPAC: N-ethylaniline.
Chemical Property Profile of N-Ethylaniline
Property Insights of N-Ethylaniline
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Ethylaniline. With a topological polar surface area (TPSA) of 12.0 Ų, N-Ethylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-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 N-Ethylaniline?
The CAS number of N-Ethylaniline is 103-69-5.
What is the molecular formula of N-Ethylaniline?
The molecular formula of N-Ethylaniline is C8H11N.
What is the molecular weight of N-Ethylaniline?
The molecular weight of N-Ethylaniline is 121.09 g/mol.
Where can I buy N-Ethylaniline?
You can request a quote for N-Ethylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Ethylaniline?
Yes, KEHONG BIO provides custom synthesis services for N-Ethylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.