3,4-Dimethylaniline
TL;DR: 3,4-Dimethylaniline (CAS 95-64-7) is a chemical compound with molecular formula C8H11N and molecular weight 121.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethylaniline
Also Known As: 3,4-Dimethylaniline, 3,4-XYLIDINE, 4-Amino-o-xylene, 3,4-Xylylamine, 3,4-Dimethylbenzenamine
| Molecular Formula | C8H11N |
|---|---|
| Molecular Weight | 121.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 121.08915 |
| Heavy Atoms | 9 |
| Complexity | 90.0 |
| Melting Point | 51.1 °C |
| Boiling Point | 227.8 °C at 760 mmHg |
| Density | 1.076 at 17.8 °C |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
| Flash Point | 98.3 °C |
| Vapor Pressure | Vapor pressure, Pa at 25 °C: 4 |
Chemical Identifiers
| CAS Number | 95-64-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N)C |
| InChIKey | DOLQYFPDPKPQSS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dimethylaniline (CAS 95-64-7), with molecular formula C8H11N and molecular weight 121.09 g/mol. IUPAC: 3,4-dimethylaniline.
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
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 121.09 g/mol.
Where can I buy 3,4-Dimethylaniline?
You can request a quote for 3,4-Dimethylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dimethylaniline?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dimethylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.