Aniline, o-chloro-N,N-dimethyl-
TL;DR: Aniline, o-chloro-N,N-dimethyl- (CAS 698-01-1) is a chemical compound with molecular formula C8H10ClN and molecular weight 155.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N,N-dimethylaniline
Also Known As: 2-Chloro-N,N-dimethylaniline, Chlordimethylanilin, o-Chloro-N,N-dimethylaniline, 4-Fluorodiphenylmethane, oChloroN,Ndimethylaniline
| Molecular Formula | C8H10ClN |
|---|---|
| Molecular Weight | 155.05 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 155.05017 |
| Heavy Atoms | 10 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 698-01-1 |
|---|---|
| SMILES | CN(C)C1=CC=CC=C1Cl |
| InChIKey | QDCPXCIPVQJVDD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Aniline, o-chloro-N,N-dimethyl- (CAS 698-01-1), with molecular formula C8H10ClN and molecular weight 155.05 g/mol. IUPAC: 2-chloro-N,N-dimethylaniline.
Chemical Property Profile of Aniline, o-chloro-N,N-dimethyl-
Property Insights of Aniline, o-chloro-N,N-dimethyl-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aniline, o-chloro-N,N-dimethyl-. With a topological polar surface area (TPSA) of 3.2 Ų, Aniline, o-chloro-N,N-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Aniline, o-chloro-N,N-dimethyl- has 0 hydrogen bond donor(s) and 1 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 Aniline, o-chloro-N,N-dimethyl-?
The CAS number of Aniline, o-chloro-N,N-dimethyl- is 698-01-1.
What is the molecular formula of Aniline, o-chloro-N,N-dimethyl-?
The molecular formula of Aniline, o-chloro-N,N-dimethyl- is C8H10ClN.
What is the molecular weight of Aniline, o-chloro-N,N-dimethyl-?
The molecular weight of Aniline, o-chloro-N,N-dimethyl- is 155.05 g/mol.
Where can I buy Aniline, o-chloro-N,N-dimethyl-?
You can request a quote for Aniline, o-chloro-N,N-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aniline, o-chloro-N,N-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Aniline, o-chloro-N,N-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.