4-chloro-N1-methylbenzene-1,2-diamine
TL;DR: 4-chloro-N1-methylbenzene-1,2-diamine (CAS 59681-66-2) is a chemical compound with molecular formula C7H9ClN2 and molecular weight 156.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-1-N-methylbenzene-1,2-diamine
Also Known As: 4-Chloro-N1-methylbenzene-1,2-diamine, 4-chloro-1-N-methylbenzene-1,2-diamine, 2-amino-4-chloro-N-methylaminobenzene, 2-(Methylamino)-5-chloroaniline, 4-Chloro-N1-methyl-1,2-benzenediamine
| Molecular Formula | C7H9ClN2 |
|---|---|
| Molecular Weight | 156.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 38.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 156.04543 |
| Heavy Atoms | 10 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 59681-66-2 |
|---|---|
| SMILES | CNC1=C(C=C(C=C1)Cl)N |
| InChIKey | UVUAKQQNONYKJK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-chloro-N1-methylbenzene-1,2-diamine (CAS 59681-66-2), with molecular formula C7H9ClN2 and molecular weight 156.05 g/mol. IUPAC: 4-chloro-1-N-methylbenzene-1,2-diamine.
Chemical Property Profile of 4-chloro-N1-methylbenzene-1,2-diamine
Property Insights of 4-chloro-N1-methylbenzene-1,2-diamine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-N1-methylbenzene-1,2-diamine. With a topological polar surface area (TPSA) of 38.1 Ų, 4-chloro-N1-methylbenzene-1,2-diamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-N1-methylbenzene-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 4-chloro-N1-methylbenzene-1,2-diamine?
The CAS number of 4-chloro-N1-methylbenzene-1,2-diamine is 59681-66-2.
What is the molecular formula of 4-chloro-N1-methylbenzene-1,2-diamine?
The molecular formula of 4-chloro-N1-methylbenzene-1,2-diamine is C7H9ClN2.
What is the molecular weight of 4-chloro-N1-methylbenzene-1,2-diamine?
The molecular weight of 4-chloro-N1-methylbenzene-1,2-diamine is 156.05 g/mol.
Where can I buy 4-chloro-N1-methylbenzene-1,2-diamine?
You can request a quote for 4-chloro-N1-methylbenzene-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 4-chloro-N1-methylbenzene-1,2-diamine?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N1-methylbenzene-1,2-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.