2,6-Dimethylaniline
TL;DR: 2,6-Dimethylaniline (CAS 87-62-7) is a chemical compound with molecular formula C8H11N and molecular weight 121.08915 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,6-dimethylaniline
Also Known As: 2,6-Dimethylaniline, 2,6-XYLIDINE, o-Xylidine, 2-Amino-m-xylene, 2,6-Dimethylbenzenamine
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H11N |
| Molecular Weight | 121.08915 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 121.08915 Da |
| Heavy Atoms | 9 |
| Complexity | 80.0 |
| Melting Point | 47.1 °F (NTP, 1992) |
| Boiling Point | 417 °F at 739 mmHg (NTP, 1992) |
| Density | 0.984 (USCG, 1999) - Less dense than water; will float |
| Flash Point | 196 °F (NTP, 1992) |
| Vapor Pressure | 1 mmHg at 111.2 °F ; 5 mmHg at 162.7 °F; 100 mmHg at 295 °F (NTP, 1992) |
| Refractive Index | Index of refraction: 1.5610 at 20 °C/D |
| Solubility | less than 1 mg/mL at 75 °F (NTP, 1992) |
| SMILES | CC1=C(C(=CC=C1)C)N |
| InChIKey | UFFBMTHBGFGIHF-UHFFFAOYSA-N |
Product Description
Applications: 2,6-Dimethylaniline is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2,6-Dimethylaniline (CAS 87-62-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
2,6-Dimethylaniline (CAS 87-62-7) is a heterocyclic building block with the molecular formula C8H11N and a molecular weight of 121.09 g/mol. Key physical properties include a density of 0.984 (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: less than 1 mg/mL at 75 °F (NTP, 1992). It is also known as 2,6-Dimethylaniline and 2,6-XYLIDINE.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 2,6-Dimethylaniline
Property Insights of 2,6-Dimethylaniline
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Dimethylaniline. With a topological polar surface area (TPSA) of 26.0 Ų, 2,6-Dimethylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-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
What is the CAS number of 2,6-Dimethylaniline?
The CAS number of 2,6-Dimethylaniline is 87-62-7.
What is the molecular formula of 2,6-Dimethylaniline?
The molecular formula of 2,6-Dimethylaniline is C8H11N.
What is the molecular weight of 2,6-Dimethylaniline?
The molecular weight of 2,6-Dimethylaniline is 121.08915 g/mol.
What are the applications of 2,6-Dimethylaniline?
2,6-Dimethylaniline is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy 2,6-Dimethylaniline?
You can request a quote for 2,6-Dimethylaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,6-Dimethylaniline?
Yes, CoreyChem provides custom synthesis services for 2,6-Dimethylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.