2-Chloro-1,4-benzenediamine dihydrochloride
TL;DR: 2-Chloro-1,4-benzenediamine dihydrochloride (CAS 615-46-3) is a chemical compound with molecular formula C6H9Cl3N2 and molecular weight 213.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chlorobenzene-1,4-diamine;dihydrochloride
Also Known As: 2-Chloro-p-phenylenediamine dihydrochloride, 2-chlorobenzene-1,4-diamine dihydrochloride, p-Phenylenediamine, 2-chloro-, dihydrochloride, 1,4-Benzenediamine, 2-chloro-, dihydrochloride, 2-Chlorobenzene-1,4-diammonium dichloride
| Molecular Formula | C6H9Cl3N2 |
|---|---|
| Molecular Weight | 213.98 g/mol |
| LogP | 2.35 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 213.98312 |
| Heavy Atoms | 11 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 615-46-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1N)Cl)N.Cl.Cl |
| InChIKey | GJCLKJLIKKFYAW-UHFFFAOYSA-N |
Product Overview
2-Chloro-1,4-benzenediamine dihydrochloride (CAS 615-46-3), with molecular formula C6H9Cl3N2 and molecular weight 213.98 g/mol. IUPAC: 2-chlorobenzene-1,4-diamine;dihydrochloride.
Chemical Property Profile of 2-Chloro-1,4-benzenediamine dihydrochloride
Property Insights of 2-Chloro-1,4-benzenediamine dihydrochloride
The XLogP value of 2.35 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-1,4-benzenediamine dihydrochloride. With a topological polar surface area (TPSA) of 52.0 Ų, 2-Chloro-1,4-benzenediamine dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-1,4-benzenediamine dihydrochloride 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 2-Chloro-1,4-benzenediamine dihydrochloride?
The CAS number of 2-Chloro-1,4-benzenediamine dihydrochloride is 615-46-3.
What is the molecular formula of 2-Chloro-1,4-benzenediamine dihydrochloride?
The molecular formula of 2-Chloro-1,4-benzenediamine dihydrochloride is C6H9Cl3N2.
What is the molecular weight of 2-Chloro-1,4-benzenediamine dihydrochloride?
The molecular weight of 2-Chloro-1,4-benzenediamine dihydrochloride is 213.98 g/mol.
Where can I buy 2-Chloro-1,4-benzenediamine dihydrochloride?
You can request a quote for 2-Chloro-1,4-benzenediamine dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-1,4-benzenediamine dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-1,4-benzenediamine dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.