p-Toluidine
TL;DR: p-Toluidine (CAS 106-49-0) is a chemical compound with molecular formula C7H9N and molecular weight 107.0735 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methylaniline
Also Known As: p-Toluidine, 4-Methylaniline, 4-Toluidine, 4-Methylbenzenamine, p-Tolylamine
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H9N |
| Molecular Weight | 107.0735 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 107.0735 Da |
| Heavy Atoms | 8 |
| Complexity | 62.0 |
| Melting Point | 112.1 °F (USCG, 1999) |
| Boiling Point | 393 °F at 760 mmHg (USCG, 1999) |
| Density | 1 at 68 °F (USCG, 1999) |
| Flash Point | 188 °F (USCG, 1999) |
| Vapor Pressure | 1 mmHg at 108 °F (NIOSH, 2024) |
| Refractive Index | Index of refraction: 1.5534 at 45 °C/D |
| Solubility | 0.7 % (NIOSH, 2024) |
| SMILES | CC1=CC=C(C=C1)N |
| InChIKey | RZXMPPFPUUCRFN-UHFFFAOYSA-N |
Chemical Property Profile of p-Toluidine
Property Insights of p-Toluidine
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Toluidine. With a topological polar surface area (TPSA) of 26.0 Ų, p-Toluidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Toluidine has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of p-Toluidine?
The CAS number of p-Toluidine is 106-49-0.
What is the molecular formula of p-Toluidine?
The molecular formula of p-Toluidine is C7H9N.
What is the molecular weight of p-Toluidine?
The molecular weight of p-Toluidine is 107.0735 g/mol.
Where can I buy p-Toluidine?
You can request a quote for p-Toluidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for p-Toluidine?
Yes, CoreyChem provides custom synthesis services for p-Toluidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.