3,5-Dimethylaniline
TL;DR: 3,5-Dimethylaniline (CAS 108-69-0) 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.
3,5-dimethylaniline
Also Known As: 3,5-Dimethylaniline, 3,5-XYLIDINE, 3,5-Xylylamine, 3,5-Xylidene, Benzenamine, 3,5-dimethyl-
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 | 2.0 |
| 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 | 49.6 °F (NTP, 1992) |
| Boiling Point | 428 to 430 °F at 760 mmHg (NTP, 1992) |
| Density | 0.9706 at 68 °F (NTP, 1992) - Less dense than water; will float |
| Flash Point | 200 °F (NTP, 1992) |
| Vapor Pressure | 0.12 [mmHg] |
| Refractive Index | INDEX OF REFRACTION: 1.5581 @ 20 °C/D |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
| SMILES | CC1=CC(=CC(=C1)N)C |
| InChIKey | MKARNSWMMBGSHX-UHFFFAOYSA-N |
Product Description
Applications: 3,5-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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
3,5-Dimethylaniline (CAS 108-69-0) 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 0.9706 at 68 °F (NTP, 1992) - Less dense than water; will float g/cm³, a solubility: less than 1 mg/mL at 66 °F (NTP, 1992). Synonyms include 3,5-Dimethylaniline and 3,5-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 3,5-Dimethylaniline
Property Insights of 3,5-Dimethylaniline
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimethylaniline. With a topological polar surface area (TPSA) of 26.0 Ų, 3,5-Dimethylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-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 3,5-Dimethylaniline?
The CAS number of 3,5-Dimethylaniline is 108-69-0.
What is the molecular formula of 3,5-Dimethylaniline?
The molecular formula of 3,5-Dimethylaniline is C8H11N.
What is the molecular weight of 3,5-Dimethylaniline?
The molecular weight of 3,5-Dimethylaniline is 121.08915 g/mol.
What are the applications of 3,5-Dimethylaniline?
3,5-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. Available from CoreyChem as both catalog item and...
Where can I buy 3,5-Dimethylaniline?
You can request a quote for 3,5-Dimethylaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-Dimethylaniline?
Yes, CoreyChem provides custom synthesis services for 3,5-Dimethylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.