2,4,6-Trimethylaniline
TL;DR: 2,4,6-Trimethylaniline (CAS 88-05-1) is a chemical compound with molecular formula C9H13N and molecular weight 135.1048 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4,6-trimethylaniline
Also Known As: 2,4,6-TRIMETHYLANILINE, Mesidine, Aminomesitylene, Mesitylamine, Mesidin
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H13N |
| Molecular Weight | 135.1048 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 135.1048 Da |
| Heavy Atoms | 10 |
| Complexity | 99.0 |
| Melting Point | 23 °F (EPA, 1998) |
| Boiling Point | 450 to 451 °F at 760 mmHg (EPA, 1998) |
| Density | 0.9633 (EPA, 1998) - Less dense than water; will float |
| Vapor Pressure | 0.06 [mmHg] |
| Solubility | Insoluble in water |
| SMILES | CC1=CC(=C(C(=C1)C)N)C |
| InChIKey | KWVPRPSXBZNOHS-UHFFFAOYSA-N |
Product Description
Applications: 2,4,6-Trimethylaniline is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2,4,6-Trimethylaniline (CAS 88-05-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
2,4,6-Trimethylaniline is a heterocyclic building block identified by CAS number 88-05-1 and the molecular formula C9H13N and a molecular weight of 135.1 g/mol. Physically, the compound has a density of 0.9633 (EPA, 1998) - Less dense than water; will float g/cm³, a solubility: Insoluble in water. It is also known as 2,4,6-TRIMETHYLANILINE and Mesidine.
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 2,4,6-Trimethylaniline
Property Insights of 2,4,6-Trimethylaniline
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Trimethylaniline. With a topological polar surface area (TPSA) of 26.0 Ų, 2,4,6-Trimethylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Trimethylaniline 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 2,4,6-Trimethylaniline?
The CAS number of 2,4,6-Trimethylaniline is 88-05-1.
What is the molecular formula of 2,4,6-Trimethylaniline?
The molecular formula of 2,4,6-Trimethylaniline is C9H13N.
What is the molecular weight of 2,4,6-Trimethylaniline?
The molecular weight of 2,4,6-Trimethylaniline is 135.1048 g/mol.
What are the applications of 2,4,6-Trimethylaniline?
2,4,6-Trimethylaniline is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2,4,6-Trimethylaniline (CAS...
Where can I buy 2,4,6-Trimethylaniline?
You can request a quote for 2,4,6-Trimethylaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4,6-Trimethylaniline?
Yes, CoreyChem provides custom synthesis services for 2,4,6-Trimethylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.