2,N-Dimethylaniline
TL;DR: 2,N-Dimethylaniline (CAS 611-21-2) is a chemical compound with molecular formula C8H11N and molecular weight 121.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,2-dimethylaniline
Also Known As: N,2-Dimethylaniline, N-Methyl-o-toluidine, 2,N-Dimethylaniline, N,o-Dimethylaniline, o,N-Dimethylaniline
| Molecular Formula | C8H11N |
|---|---|
| Molecular Weight | 121.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 121.08915 |
| Heavy Atoms | 9 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 611-21-2 |
|---|---|
| SMILES | CC1=CC=CC=C1NC |
| InChIKey | GUAWMXYQZKVRCW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,N-Dimethylaniline (CAS 611-21-2), with molecular formula C8H11N and molecular weight 121.09 g/mol. IUPAC: N,2-dimethylaniline.
Chemical Property Profile of 2,N-Dimethylaniline
Property Insights of 2,N-Dimethylaniline
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,N-Dimethylaniline. With a topological polar surface area (TPSA) of 12.0 Ų, 2,N-Dimethylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,N-Dimethylaniline has 1 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 2,N-Dimethylaniline?
The CAS number of 2,N-Dimethylaniline is 611-21-2.
What is the molecular formula of 2,N-Dimethylaniline?
The molecular formula of 2,N-Dimethylaniline is C8H11N.
What is the molecular weight of 2,N-Dimethylaniline?
The molecular weight of 2,N-Dimethylaniline is 121.09 g/mol.
Where can I buy 2,N-Dimethylaniline?
You can request a quote for 2,N-Dimethylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,N-Dimethylaniline?
Yes, KEHONG BIO provides custom synthesis services for 2,N-Dimethylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.