3,4-Dimethylaniline
TL;DR: 3,4-Dimethylaniline (CAS 95-64-7) 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.
3,4-dimethylaniline
Also Known As: 3,4-Dimethylaniline, 3,4-XYLIDINE, 4-Amino-o-xylene, 3,4-Xylylamine, 3,4-Dimethylbenzenamine
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H11N |
| Molecular Weight | 121.08915 g/mol |
| XLogP | 2.5 |
| 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 | 90.0 |
| Melting Point | 124 °F (NTP, 1992) |
| Boiling Point | 442 °F at 760 mmHg (NTP, 1992) |
| Density | 1.076 at 64 °F (NTP, 1992) - Denser than water; will sink |
| Flash Point | 209 °F (NTP, 1992) |
| Vapor Pressure | Vapor pressure, Pa at 25 °C: 4 |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
| SMILES | CC1=C(C=C(C=C1)N)C |
| InChIKey | DOLQYFPDPKPQSS-UHFFFAOYSA-N |
Product Description
Applications: 3,4-Dimethylaniline 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 3,4-Dimethylaniline (CAS 95-64-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
3,4-Dimethylaniline (CAS 95-64-7) 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 1.076 at 64 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: less than 1 mg/mL at 66 °F (NTP, 1992). It is also known as 3,4-Dimethylaniline and 3,4-XYLIDINE.
CoreyChem provides it with COA documentation, and custom synthesis from milligram to multi-kilogram scales is available on request. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3,4-Dimethylaniline
Property Insights of 3,4-Dimethylaniline
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dimethylaniline. With a topological polar surface area (TPSA) of 26.0 Ų, 3,4-Dimethylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-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 3,4-Dimethylaniline?
The CAS number of 3,4-Dimethylaniline is 95-64-7.
What is the molecular formula of 3,4-Dimethylaniline?
The molecular formula of 3,4-Dimethylaniline is C8H11N.
What is the molecular weight of 3,4-Dimethylaniline?
The molecular weight of 3,4-Dimethylaniline is 121.08915 g/mol.
What are the applications of 3,4-Dimethylaniline?
3,4-Dimethylaniline 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 3,4-Dimethylaniline (CAS 95-64-7)...
Where can I buy 3,4-Dimethylaniline?
You can request a quote for 3,4-Dimethylaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4-Dimethylaniline?
Yes, CoreyChem provides custom synthesis services for 3,4-Dimethylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.