3-Ethoxyaniline
TL;DR: 3-Ethoxyaniline (CAS 621-33-0) is a chemical compound with molecular formula C8H11NO and molecular weight 137.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethoxyaniline
Also Known As: 3-ETHOXYANILINE, m-Phenetidine, m-Ethoxyaniline, 3-Ethoxybenzenamine, Benzenamine, 3-ethoxy-
| Molecular Formula | C8H11NO |
|---|---|
| Molecular Weight | 137.08 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 137.08406 |
| Heavy Atoms | 10 |
| Complexity | 95.0 |
| Boiling Point | 247.8 °C at 760 mmHg |
| Density | 1.032 |
| Solubility | 1 to 5 mg/mL at 68 °F (NTP, 1992) |
| Flash Point | greater than 112.8 °C |
| Vapor Pressure | 1 mmHg at 67.2 °C ; 5 mmHg at 94.7 °C; 760 mmHg at 227.8 °C |
Chemical Identifiers
| CAS Number | 621-33-0 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)N |
| InChIKey | WEZAHYDFZNTGKE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Ethoxyaniline (CAS 621-33-0), with molecular formula C8H11NO and molecular weight 137.08 g/mol. IUPAC: 3-ethoxyaniline.
Chemical Property Profile of 3-Ethoxyaniline
Property Insights of 3-Ethoxyaniline
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethoxyaniline. With a topological polar surface area (TPSA) of 35.3 Ų, 3-Ethoxyaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethoxyaniline has 1 hydrogen bond donor(s) and 2 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-Ethoxyaniline?
The CAS number of 3-Ethoxyaniline is 621-33-0.
What is the molecular formula of 3-Ethoxyaniline?
The molecular formula of 3-Ethoxyaniline is C8H11NO.
What is the molecular weight of 3-Ethoxyaniline?
The molecular weight of 3-Ethoxyaniline is 137.08 g/mol.
Where can I buy 3-Ethoxyaniline?
You can request a quote for 3-Ethoxyaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethoxyaniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethoxyaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.