2,6-Diethylaniline
TL;DR: 2,6-Diethylaniline (CAS 579-66-8) is a chemical compound with molecular formula C10H15N and molecular weight 149.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-diethylaniline
Also Known As: 2,6-DIETHYLANILINE, 2,6-Diethylbenzenamine, Benzenamine, 2,6-diethyl-, 2,6-Diethyl aniline, Aniline, 2,6-diethyl-
| Molecular Formula | C10H15N |
|---|---|
| Molecular Weight | 149.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 149.12045 |
| Heavy Atoms | 11 |
| Complexity | 99.0 |
| Melting Point | 3.5 °C |
| Boiling Point | 235.5 °C |
| Density | 0.96 kg/l @ 20 °C |
| Solubility | Soluble in oxygenated solvents |
| Vapor Pressure | 0.00383 [mmHg] |
| Refractive Index | Refractive index: 1.5456 at 20 °C |
Chemical Identifiers
| CAS Number | 579-66-8 |
|---|---|
| SMILES | CCC1=C(C(=CC=C1)CC)N |
| InChIKey | FOYHNROGBXVLLX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Diethylaniline (CAS 579-66-8), with molecular formula C10H15N and molecular weight 149.12 g/mol. IUPAC: 2,6-diethylaniline.
Chemical Property Profile of 2,6-Diethylaniline
Property Insights of 2,6-Diethylaniline
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Diethylaniline. With a topological polar surface area (TPSA) of 26.0 Ų, 2,6-Diethylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Diethylaniline 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 2,6-Diethylaniline?
The CAS number of 2,6-Diethylaniline is 579-66-8.
What is the molecular formula of 2,6-Diethylaniline?
The molecular formula of 2,6-Diethylaniline is C10H15N.
What is the molecular weight of 2,6-Diethylaniline?
The molecular weight of 2,6-Diethylaniline is 149.12 g/mol.
Where can I buy 2,6-Diethylaniline?
You can request a quote for 2,6-Diethylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Diethylaniline?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Diethylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.