3-Methoxy-4-methylaniline
TL;DR: 3-Methoxy-4-methylaniline (CAS 16452-01-0) 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-methoxy-4-methylaniline
Also Known As: 3-Methoxy-4-methylaniline, O-CRESIDINE, Benzenamine, 3-methoxy-4-methyl-, 3-Methoxy-4-methyl aniline, methoxymethylaniline
| Molecular Formula | C8H11NO |
|---|---|
| Molecular Weight | 137.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 137.08406 |
| Heavy Atoms | 10 |
| Complexity | 105.0 |
| Melting Point | 124 to 53.9 °C |
| Boiling Point | 482 to 252.2 °C at 760 mmHg |
| Solubility | less than 1 mg/mL at 59 °F (NTP, 1992) |
| Flash Point | greater than 112.8 °C |
Chemical Identifiers
| CAS Number | 16452-01-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N)OC |
| InChIKey | ONADZNBSLRAJFW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methoxy-4-methylaniline (CAS 16452-01-0), with molecular formula C8H11NO and molecular weight 137.08 g/mol. IUPAC: 3-methoxy-4-methylaniline.
Chemical Property Profile of 3-Methoxy-4-methylaniline
Property Insights of 3-Methoxy-4-methylaniline
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxy-4-methylaniline. With a topological polar surface area (TPSA) of 35.3 Ų, 3-Methoxy-4-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxy-4-methylaniline 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-Methoxy-4-methylaniline?
The CAS number of 3-Methoxy-4-methylaniline is 16452-01-0.
What is the molecular formula of 3-Methoxy-4-methylaniline?
The molecular formula of 3-Methoxy-4-methylaniline is C8H11NO.
What is the molecular weight of 3-Methoxy-4-methylaniline?
The molecular weight of 3-Methoxy-4-methylaniline is 137.08 g/mol.
Where can I buy 3-Methoxy-4-methylaniline?
You can request a quote for 3-Methoxy-4-methylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxy-4-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxy-4-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.