二盐酸联苯胺
TL;DR: 二盐酸联苯胺 (CAS 531-85-1) is a chemical compound with molecular formula C12H14Cl2N2 and molecular weight 256.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二盐酸联苯胺
4-(4-aminophenyl)aniline;dihydrochloride
Also Known As: BENZIDINE DIHYDROCHLORIDE, Benzidine.2HCl, Benzidine HCl, benzidine2hcl, Benzidine hydrochloride
| Molecular Formula | C12H14Cl2N2 |
|---|---|
| Molecular Weight | 256.05 g/mol |
| LogP | 3.36 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.0534 |
| Heavy Atoms | 16 |
| Complexity | 145.0 |
| Melting Point | greater than 300.0 °C |
| Solubility | 1 to 5 mg/mL at 74.3 °F (NTP, 1992) |
| Vapor Pressure | 0.00000438 [mmHg] |
Chemical Identifiers
| CAS Number | 531-85-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC=C(C=C2)N)N.Cl.Cl |
| InChIKey | RUAXWVDEYJEWRY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二盐酸联苯胺 (CAS 531-85-1), with molecular formula C12H14Cl2N2 and molecular weight 256.05 g/mol. IUPAC: 4-(4-aminophenyl)aniline;dihydrochloride.
Chemical Property Profile of 二盐酸联苯胺
Property Insights of 二盐酸联苯胺
The XLogP value of 3.36 indicates that 二盐酸联苯胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.0 Ų, 二盐酸联苯胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二盐酸联苯胺 has 4 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 二盐酸联苯胺?
The CAS number of 二盐酸联苯胺 is 531-85-1.
What is the molecular formula of 二盐酸联苯胺?
The molecular formula of 二盐酸联苯胺 is C12H14Cl2N2.
What is the molecular weight of 二盐酸联苯胺?
The molecular weight of 二盐酸联苯胺 is 256.05 g/mol.
Where can I buy 二盐酸联苯胺?
You can request a quote for 二盐酸联苯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二盐酸联苯胺?
Yes, KEHONG BIO provides custom synthesis services for 二盐酸联苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.