3-chloro-N1,N1-dimethylbenzene-1,4-diamine
TL;DR: 3-chloro-N1,N1-dimethylbenzene-1,4-diamine (CAS 53666-59-4) is a chemical compound with molecular formula C8H11ClN2 and molecular weight 170.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-N,4-N-dimethylbenzene-1,4-diamine
Also Known As: starbld0006409, 3-chloro-N1,N1-dimethylbenzene-1,4-diamine, MRMXXMCXBZUJIW-UHFFFAOYSA-, 2-chloro-4-N,4-N-dimethylbenzene-1,4-diamine, (4-amino-3-chlorophenyl)dimethylamine
| Molecular Formula | C8H11ClN2 |
|---|---|
| Molecular Weight | 170.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 29.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.06108 |
| Heavy Atoms | 11 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 53666-59-4 |
|---|---|
| SMILES | CN(C)C1=CC(=C(C=C1)N)Cl |
| InChIKey | MRMXXMCXBZUJIW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-chloro-N1,N1-dimethylbenzene-1,4-diamine (CAS 53666-59-4), with molecular formula C8H11ClN2 and molecular weight 170.06 g/mol. IUPAC: 2-chloro-4-N,4-N-dimethylbenzene-1,4-diamine.
Chemical Property Profile of 3-chloro-N1,N1-dimethylbenzene-1,4-diamine
Property Insights of 3-chloro-N1,N1-dimethylbenzene-1,4-diamine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-chloro-N1,N1-dimethylbenzene-1,4-diamine. With a topological polar surface area (TPSA) of 29.3 Ų, 3-chloro-N1,N1-dimethylbenzene-1,4-diamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-N1,N1-dimethylbenzene-1,4-diamine has 1 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 3-chloro-N1,N1-dimethylbenzene-1,4-diamine?
The CAS number of 3-chloro-N1,N1-dimethylbenzene-1,4-diamine is 53666-59-4.
What is the molecular formula of 3-chloro-N1,N1-dimethylbenzene-1,4-diamine?
The molecular formula of 3-chloro-N1,N1-dimethylbenzene-1,4-diamine is C8H11ClN2.
What is the molecular weight of 3-chloro-N1,N1-dimethylbenzene-1,4-diamine?
The molecular weight of 3-chloro-N1,N1-dimethylbenzene-1,4-diamine is 170.06 g/mol.
Where can I buy 3-chloro-N1,N1-dimethylbenzene-1,4-diamine?
You can request a quote for 3-chloro-N1,N1-dimethylbenzene-1,4-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-N1,N1-dimethylbenzene-1,4-diamine?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N1,N1-dimethylbenzene-1,4-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.