P-Anisidine
TL;DR: P-Anisidine (CAS 104-94-9) 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.
4-methoxyaniline
Also Known As: p-Anisidine, 4-Methoxyaniline, 4-Anisidine, 4-Methoxybenzenamine, 4-Aminoanisole
| 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 | 77.0 |
| Melting Point | 57.2 °C |
| Boiling Point | 242.8 °C at 760 mmHg |
| Density | 1.071 at 57.2 °C |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Flash Point | 5.0 °C |
| Vapor Pressure | less than 0.1 mmHg at 20.0 °C |
| Refractive Index | 1.5559 at 60 °C |
Chemical Identifiers
| CAS Number | 104-94-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N |
| InChIKey | BHAAPTBBJKJZER-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
P-Anisidine (CAS 104-94-9), with molecular formula C7H9NO and molecular weight 123.07 g/mol. IUPAC: 4-methoxyaniline.
Chemical Property Profile of P-Anisidine
Property Insights of P-Anisidine
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for P-Anisidine. With a topological polar surface area (TPSA) of 35.3 Ų, P-Anisidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, P-Anisidine 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 P-Anisidine?
The CAS number of P-Anisidine is 104-94-9.
What is the molecular formula of P-Anisidine?
The molecular formula of P-Anisidine is C7H9NO.
What is the molecular weight of P-Anisidine?
The molecular weight of P-Anisidine is 123.07 g/mol.
Where can I buy P-Anisidine?
You can request a quote for P-Anisidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for P-Anisidine?
Yes, KEHONG BIO provides custom synthesis services for P-Anisidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.