2,3-Dimethylaniline
TL;DR: 2,3-Dimethylaniline (CAS 87-59-2) 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.
2,3-dimethylaniline
Also Known As: 2,3-Dimethylaniline, 2,3-XYLIDINE, 3-Amino-o-xylene, ortho-Xylidine, 2,3-Dimethylbenzenamine
| Molecular Formula | C8H11N |
|---|---|
| Molecular Weight | 121.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 121.08915 |
| Heavy Atoms | 9 |
| Complexity | 90.0 |
| Melting Point | less than -15.0 °C |
| Boiling Point | 430 to 222.2 °C at 760 mmHg |
| Density | 0.9931 at 20.0 °C - Less dense than water; will float |
| Solubility | 1 to 5 mg/mL at 75 °F (NTP, 1992) |
| Flash Point | 96.7 °C |
| Vapor Pressure | 7.5X10-2 mm Hg at 25 °C |
| Refractive Index | 1.5684 @ 20 °C |
Chemical Identifiers
| CAS Number | 87-59-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N)C |
| InChIKey | VVAKEQGKZNKUSU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Dimethylaniline (CAS 87-59-2), with molecular formula C8H11N and molecular weight 121.09 g/mol. IUPAC: 2,3-dimethylaniline.
Chemical Property Profile of 2,3-Dimethylaniline
Property Insights of 2,3-Dimethylaniline
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dimethylaniline. With a topological polar surface area (TPSA) of 26.0 Ų, 2,3-Dimethylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-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 2,3-Dimethylaniline?
The CAS number of 2,3-Dimethylaniline is 87-59-2.
What is the molecular formula of 2,3-Dimethylaniline?
The molecular formula of 2,3-Dimethylaniline is C8H11N.
What is the molecular weight of 2,3-Dimethylaniline?
The molecular weight of 2,3-Dimethylaniline is 121.09 g/mol.
Where can I buy 2,3-Dimethylaniline?
You can request a quote for 2,3-Dimethylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dimethylaniline?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dimethylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.