1,4-Benzenediamine, 2-chloro-N1,N1-dimethyl-
TL;DR: 1,4-Benzenediamine, 2-chloro-N1,N1-dimethyl- (CAS 6085-59-2) 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-1-N,1-N-dimethylbenzene-1,4-diamine
Also Known As: 3-Chloro-4-(dimethylamino)aniline, Cresol Red sodium salt, 2-Chloro-N1,N1-dimethylbenzene-1,4-diamine, 2-chloro-1-N,1-N-dimethylbenzene-1,4-diamine, 3-Chloro-4-(dimethylamino)benzenamine
| Molecular Formula | C8H11ClN2 |
|---|---|
| Molecular Weight | 170.06 g/mol |
| LogP | 2.2 |
| 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 | 6085-59-2 |
|---|---|
| SMILES | CN(C)C1=C(C=C(C=C1)N)Cl |
| InChIKey | AMQHNJUMJKWREE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Benzenediamine, 2-chloro-N1,N1-dimethyl- (CAS 6085-59-2), with molecular formula C8H11ClN2 and molecular weight 170.06 g/mol. IUPAC: 2-chloro-1-N,1-N-dimethylbenzene-1,4-diamine.
Chemical Property Profile of 1,4-Benzenediamine, 2-chloro-N1,N1-dimethyl-
Property Insights of 1,4-Benzenediamine, 2-chloro-N1,N1-dimethyl-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Benzenediamine, 2-chloro-N1,N1-dimethyl-. With a topological polar surface area (TPSA) of 29.3 Ų, 1,4-Benzenediamine, 2-chloro-N1,N1-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Benzenediamine, 2-chloro-N1,N1-dimethyl- 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 1,4-Benzenediamine, 2-chloro-N1,N1-dimethyl-?
The CAS number of 1,4-Benzenediamine, 2-chloro-N1,N1-dimethyl- is 6085-59-2.
What is the molecular formula of 1,4-Benzenediamine, 2-chloro-N1,N1-dimethyl-?
The molecular formula of 1,4-Benzenediamine, 2-chloro-N1,N1-dimethyl- is C8H11ClN2.
What is the molecular weight of 1,4-Benzenediamine, 2-chloro-N1,N1-dimethyl-?
The molecular weight of 1,4-Benzenediamine, 2-chloro-N1,N1-dimethyl- is 170.06 g/mol.
Where can I buy 1,4-Benzenediamine, 2-chloro-N1,N1-dimethyl-?
You can request a quote for 1,4-Benzenediamine, 2-chloro-N1,N1-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzenediamine, 2-chloro-N1,N1-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzenediamine, 2-chloro-N1,N1-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.