邻苯二胺
TL;DR: 邻苯二胺 (CAS 95-54-5) 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.
邻苯二胺
benzene-1,2-diamine
Also Known As: O-PHENYLENEDIAMINE, benzene-1,2-diamine, 1,2-Phenylenediamine, 2-Aminoaniline, 1,2-Diaminobenzene
| Molecular Formula | C6H8N2 |
|---|---|
| Molecular Weight | 108.07 g/mol |
| LogP | 0.1 |
| 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 | 62.0 |
| Melting Point | 216 to 103.9 °C |
| Boiling Point | 493 to 257.8 °C at 760 mmHg |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Flash Point | 156.1 °C (NFPA, 2010) |
| Vapor Pressure | 2.06X10-3 mm Hg at 25 °C |
Chemical Identifiers
| CAS Number | 95-54-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N)N |
| InChIKey | GEYOCULIXLDCMW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
邻苯二胺 (CAS 95-54-5), with molecular formula C6H8N2 and molecular weight 108.07 g/mol. IUPAC: benzene-1,2-diamine.
Chemical Property Profile of 邻苯二胺
Property Insights of 邻苯二胺
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 邻苯二胺. With a topological polar surface area (TPSA) of 52.0 Ų, 邻苯二胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 邻苯二胺 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 邻苯二胺?
The CAS number of 邻苯二胺 is 95-54-5.
What is the molecular formula of 邻苯二胺?
The molecular formula of 邻苯二胺 is C6H8N2.
What is the molecular weight of 邻苯二胺?
The molecular weight of 邻苯二胺 is 108.07 g/mol.
Where can I buy 邻苯二胺?
You can request a quote for 邻苯二胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 邻苯二胺?
Yes, KEHONG BIO provides custom synthesis services for 邻苯二胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.