P-Phenylenediamine
TL;DR: P-Phenylenediamine (CAS 106-50-3) is a chemical compound with molecular formula C6H8N2 and molecular weight 108.06875 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzene-1,4-diamine
Also Known As: p-Phenylenediamine, benzene-1,4-diamine, 1,4-Diaminobenzene, 1,4-Phenylenediamine, 1,4-BENZENEDIAMINE
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H8N2 |
| Molecular Weight | 108.06875 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 108.06875 Da |
| Heavy Atoms | 8 |
| Complexity | 54.0 |
| Melting Point | 284 °F (NTP, 1992) |
| Boiling Point | 513 °F at 760 mmHg (NTP, 1992) |
| Density | Greater than 1 (water= 1) |
| Flash Point | 311 °F (NTP, 1992) |
| Vapor Pressure | less than 1 mmHg (NIOSH, 2024) |
| Solubility | 4 % at 75 °F (NIOSH, 2024) |
| SMILES | C1=CC(=CC=C1N)N |
| InChIKey | CBCKQZAAMUWICA-UHFFFAOYSA-N |
Chemical Property Profile of P-Phenylenediamine
Property Insights of P-Phenylenediamine
The XLogP value of -0.3 indicates that P-Phenylenediamine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.0 Ų, P-Phenylenediamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, P-Phenylenediamine has 2 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 P-Phenylenediamine?
The CAS number of P-Phenylenediamine is 106-50-3.
What is the molecular formula of P-Phenylenediamine?
The molecular formula of P-Phenylenediamine is C6H8N2.
What is the molecular weight of P-Phenylenediamine?
The molecular weight of P-Phenylenediamine is 108.06875 g/mol.
Where can I buy P-Phenylenediamine?
You can request a quote for P-Phenylenediamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for P-Phenylenediamine?
Yes, CoreyChem provides custom synthesis services for P-Phenylenediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.