對苯二胺
TL;DR: 對苯二胺 (CAS 106-50-3) is a chemical compound with molecular formula C6H8N2 and molecular weight 108.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
對苯二胺
benzene-1,4-diamine
Also Known As: p-Phenylenediamine, benzene-1,4-diamine, 1,4-Diaminobenzene, 1,4-Phenylenediamine, 1,4-BENZENEDIAMINE
| Molecular Formula | C6H8N2 |
|---|---|
| Molecular Weight | 108.07 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 108.06875 |
| Heavy Atoms | 8 |
| Complexity | 54.0 |
| Melting Point | 140.0 °C |
| Boiling Point | 267.2 °C at 760 mmHg |
| Density | Greater than 1 (water= 1) |
| Solubility | 4 % at 75 °F (NIOSH, 2024) |
| Flash Point | 155.0 °C |
| Vapor Pressure | less than 1 mmHg |
Chemical Identifiers
| CAS Number | 106-50-3 |
|---|---|
| SMILES | C1=CC(=CC=C1N)N |
| InChIKey | CBCKQZAAMUWICA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
對苯二胺 (CAS 106-50-3), with molecular formula C6H8N2 and molecular weight 108.07 g/mol. IUPAC: benzene-1,4-diamine.
Chemical Property Profile of 對苯二胺
Property Insights of 對苯二胺
The XLogP value of -0.3 indicates that 對苯二胺 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, 對苯二胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 對苯二胺 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
Frequently Asked Questions
What is the CAS number of 對苯二胺?
The CAS number of 對苯二胺 is 106-50-3.
What is the molecular formula of 對苯二胺?
The molecular formula of 對苯二胺 is C6H8N2.
What is the molecular weight of 對苯二胺?
The molecular weight of 對苯二胺 is 108.07 g/mol.
Where can I buy 對苯二胺?
You can request a quote for 對苯二胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 對苯二胺?
Yes, KEHONG BIO provides custom synthesis services for 對苯二胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.