M-Phenylenediamine
TL;DR: M-Phenylenediamine (CAS 108-45-2) 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-1,3-diamine
Also Known As: m-Phenylenediamine, benzene-1,3-diamine, 1,3-Phenylenediamine, 1,3-Diaminobenzene, 3-Aminoaniline
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 | 64.0 |
| Melting Point | 145 to 147 °F (NTP, 1992) |
| Boiling Point | 540 to 543 °F at 760 mmHg (NTP, 1992) |
| Density | 1.0696 at 136 °F (NTP, 1992) - Denser than water; will sink |
| Flash Point | 280 °F (NTP, 1992) |
| Vapor Pressure | 1 mmHg at 211.6 °F ; 0.0018 mmHg at 77 °F (NTP, 1992) |
| Refractive Index | INDEX OF REFRACTION: 1.6339 AT 58 °C/D |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
| SMILES | C1=CC(=CC(=C1)N)N |
| InChIKey | WZCQRUWWHSTZEM-UHFFFAOYSA-N |
Chemical Property Profile of M-Phenylenediamine
Property Insights of M-Phenylenediamine
The XLogP value of -0.3 indicates that M-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, M-Phenylenediamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, M-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 M-Phenylenediamine?
The CAS number of M-Phenylenediamine is 108-45-2.
What is the molecular formula of M-Phenylenediamine?
The molecular formula of M-Phenylenediamine is C6H8N2.
What is the molecular weight of M-Phenylenediamine?
The molecular weight of M-Phenylenediamine is 108.06875 g/mol.
Where can I buy M-Phenylenediamine?
You can request a quote for M-Phenylenediamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for M-Phenylenediamine?
Yes, CoreyChem provides custom synthesis services for M-Phenylenediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.