N-(4-chlorophenyl)benzene-1,2-diamine
TL;DR: N-(4-chlorophenyl)benzene-1,2-diamine (CAS 68817-71-0) is a chemical compound with molecular formula C12H11ClN2 and molecular weight 218.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N-(4-chlorophenyl)benzene-1,2-diamine
Also Known As: N1-(4-Chlorophenyl)benzene-1,2-diamine, N-(4-Chlorophenyl)-1,2-phenylenediamine, N-(4-Chlorophenyl)benzene-1,2-diamine, Clofazimine Impurity 8, (2-aminophenyl)(4-chlorophenyl)amine
| Molecular Formula | C12H11ClN2 |
|---|---|
| Molecular Weight | 218.06 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 38.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.06108 |
| Heavy Atoms | 15 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 68817-71-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N)NC2=CC=C(C=C2)Cl |
| InChIKey | WEUBIWJPIRTWDF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(4-chlorophenyl)benzene-1,2-diamine (CAS 68817-71-0), with molecular formula C12H11ClN2 and molecular weight 218.06 g/mol. IUPAC: 2-N-(4-chlorophenyl)benzene-1,2-diamine.
Chemical Property Profile of N-(4-chlorophenyl)benzene-1,2-diamine
Property Insights of N-(4-chlorophenyl)benzene-1,2-diamine
The XLogP value of 3.4 indicates that N-(4-chlorophenyl)benzene-1,2-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.1 Ų, N-(4-chlorophenyl)benzene-1,2-diamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-chlorophenyl)benzene-1,2-diamine 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 N-(4-chlorophenyl)benzene-1,2-diamine?
The CAS number of N-(4-chlorophenyl)benzene-1,2-diamine is 68817-71-0.
What is the molecular formula of N-(4-chlorophenyl)benzene-1,2-diamine?
The molecular formula of N-(4-chlorophenyl)benzene-1,2-diamine is C12H11ClN2.
What is the molecular weight of N-(4-chlorophenyl)benzene-1,2-diamine?
The molecular weight of N-(4-chlorophenyl)benzene-1,2-diamine is 218.06 g/mol.
Where can I buy N-(4-chlorophenyl)benzene-1,2-diamine?
You can request a quote for N-(4-chlorophenyl)benzene-1,2-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-chlorophenyl)benzene-1,2-diamine?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chlorophenyl)benzene-1,2-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.