2,4,5-Trimethylaniline
TL;DR: 2,4,5-Trimethylaniline (CAS 137-17-7) 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.
2,4,5-trimethylaniline
Also Known As: 2,4,5-TRIMETHYLANILINE, Pseudocumidine, Psi-cumidine, Pseudokumidin, Benzenamine, 2,4,5-trimethyl-
Application Areas
Top 5 of 14 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 | 111.0 |
| Melting Point | 154 °F (NTP, 1992) |
| Boiling Point | 453 to 455 °F at 760 mmHg (NTP, 1992) |
| Density | 0.957 (NTP, 1992) - Less dense than water; will float |
| Vapor Pressure | 1 mmHg at 155.1 °F ; 10 mmHg at 228.2 °F (NTP, 1992) |
| Solubility | less than 0.1 mg/mL at 73 °F (NTP, 1992) |
| SMILES | CC1=CC(=C(C=C1C)N)C |
| InChIKey | BMIPMKQAAJKBKP-UHFFFAOYSA-N |
Product Description
Applications: 2,4,5-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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
2,4,5-Trimethylaniline (CAS 137-17-7) is a heterocyclic building block with the molecular formula C9H13N and a molecular weight of 135.1 g/mol. Key physical properties include a density of 0.957 (NTP, 1992) - Less dense than water; will float g/cm³, a solubility: less than 0.1 mg/mL at 73 °F (NTP, 1992). Synonyms include 2,4,5-TRIMETHYLANILINE and Pseudocumidine.
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 2,4,5-Trimethylaniline
Property Insights of 2,4,5-Trimethylaniline
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,5-Trimethylaniline. With a topological polar surface area (TPSA) of 26.0 Ų, 2,4,5-Trimethylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,5-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 2,4,5-Trimethylaniline?
The CAS number of 2,4,5-Trimethylaniline is 137-17-7.
What is the molecular formula of 2,4,5-Trimethylaniline?
The molecular formula of 2,4,5-Trimethylaniline is C9H13N.
What is the molecular weight of 2,4,5-Trimethylaniline?
The molecular weight of 2,4,5-Trimethylaniline is 135.1048 g/mol.
What are the applications of 2,4,5-Trimethylaniline?
2,4,5-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. Available from CoreyChem as both catalog item and...
Where can I buy 2,4,5-Trimethylaniline?
You can request a quote for 2,4,5-Trimethylaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4,5-Trimethylaniline?
Yes, CoreyChem provides custom synthesis services for 2,4,5-Trimethylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.