3-Methoxyaniline
TL;DR: 3-Methoxyaniline (CAS 536-90-3) is a chemical compound with molecular formula C7H9NO and molecular weight 123.06841 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methoxyaniline
Also Known As: m-Anisidine, 3-METHOXYANILINE, m-Methoxyaniline, 3-Aminoanisole, 3-Anisidine
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H9NO |
| Molecular Weight | 123.06841 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 35.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 123.06841 Da |
| Heavy Atoms | 9 |
| Complexity | 85.0 |
| Melting Point | 30 to 34 °F (NTP, 1992) |
| Boiling Point | 484 °F at 760 mmHg (NTP, 1992) |
| Density | 1.096 at 68 °F (NTP, 1992) - Denser than water; will sink |
| Flash Point | greater than 235 °F (NTP, 1992) |
| Vapor Pressure | 15.4 mmHg at 75 °F ; 21.8 mmHg at 115 °F; 32 mmHg at 144 °F (NTP, 1992) |
| Refractive Index | Index of refraction = 1.5797 at 20 °C/D |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
| SMILES | COC1=CC=CC(=C1)N |
| InChIKey | NCBZRJODKRCREW-UHFFFAOYSA-N |
Product Description
Applications: 3-Methoxyaniline is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A heterocyclic building block supplied by CoreyChem, 3-Methoxyaniline (CAS 536-90-3) has the molecular formula C7H9NO and a molecular weight of 123.07 g/mol. Reported properties include a density of 1.096 at 68 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: less than 1 mg/mL at 66 °F (NTP, 1992). Synonyms include m-Anisidine and 3-METHOXYANILINE.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 123.06841 g/mol.
What are the applications of 3-Methoxyaniline?
3-Methoxyaniline is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 3-Methoxyaniline?
You can request a quote for 3-Methoxyaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methoxyaniline?
Yes, CoreyChem provides custom synthesis services for 3-Methoxyaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.