3-Methoxyaniline
TL;DR: 3-Methoxyaniline (CAS 536-90-3) is a chemical compound with molecular formula C7H9NO and molecular weight 123.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxyaniline
Also Known As: m-Anisidine, 3-METHOXYANILINE, m-Methoxyaniline, 3-Aminoanisole, 3-Anisidine
| Molecular Formula | C7H9NO |
|---|---|
| Molecular Weight | 123.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 123.06841 |
| Heavy Atoms | 9 |
| Complexity | 85.0 |
| Melting Point | 30 to 1.1 °C |
| Boiling Point | 251.1 °C at 760 mmHg |
| Density | 1.096 at 20.0 °C |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
| Flash Point | greater than 112.8 °C |
| Vapor Pressure | 15.4 mmHg at 23.9 °C ; 21.8 mmHg at 46.1 °C; 32 mmHg at 62.2 °C |
| Refractive Index | = 1.5797 at 20 °C |
Chemical Identifiers
| CAS Number | 536-90-3 |
|---|---|
| SMILES | COC1=CC=CC(=C1)N |
| InChIKey | NCBZRJODKRCREW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methoxyaniline (CAS 536-90-3), with molecular formula C7H9NO and molecular weight 123.07 g/mol. IUPAC: 3-methoxyaniline.
Chemical Property Profile of 3-Methoxyaniline
Property Insights of 3-Methoxyaniline
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxyaniline. With a topological polar surface area (TPSA) of 35.3 Ų, 3-Methoxyaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxyaniline 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-Methoxyaniline?
The CAS number of 3-Methoxyaniline is 536-90-3.
What is the molecular formula of 3-Methoxyaniline?
The molecular formula of 3-Methoxyaniline is C7H9NO.
What is the molecular weight of 3-Methoxyaniline?
The molecular weight of 3-Methoxyaniline is 123.07 g/mol.
Where can I buy 3-Methoxyaniline?
You can request a quote for 3-Methoxyaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxyaniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxyaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.