N,n-diethyl-2,6-dimethylaniline
TL;DR: N,n-diethyl-2,6-dimethylaniline (CAS 3995-38-8) is a chemical compound with molecular formula C12H19N and molecular weight 177.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-2,6-dimethylaniline
Also Known As: N,n-diethyl-2,6-dimethylaniline, Benzenamine, N,N-diethyl-2,6-dimethyl-, 2,6-Dimethyl-N,N-diethylaniline, N,N-diethyl-2,6-dimethyl-aniline, (2,6-Dimethyl-phenyl)-diethyl-amine
| Molecular Formula | C12H19N |
|---|---|
| Molecular Weight | 177.15 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 177.15175 |
| Heavy Atoms | 13 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 3995-38-8 |
|---|---|
| SMILES | CCN(CC)C1=C(C=CC=C1C)C |
| InChIKey | KECFTDQVRIBMCH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,n-diethyl-2,6-dimethylaniline (CAS 3995-38-8), with molecular formula C12H19N and molecular weight 177.15 g/mol. IUPAC: N,N-diethyl-2,6-dimethylaniline.
Chemical Property Profile of N,n-diethyl-2,6-dimethylaniline
Property Insights of N,n-diethyl-2,6-dimethylaniline
The XLogP value of 3.5 indicates that N,n-diethyl-2,6-dimethylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, N,n-diethyl-2,6-dimethylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,n-diethyl-2,6-dimethylaniline has 0 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 N,n-diethyl-2,6-dimethylaniline?
The CAS number of N,n-diethyl-2,6-dimethylaniline is 3995-38-8.
What is the molecular formula of N,n-diethyl-2,6-dimethylaniline?
The molecular formula of N,n-diethyl-2,6-dimethylaniline is C12H19N.
What is the molecular weight of N,n-diethyl-2,6-dimethylaniline?
The molecular weight of N,n-diethyl-2,6-dimethylaniline is 177.15 g/mol.
Where can I buy N,n-diethyl-2,6-dimethylaniline?
You can request a quote for N,n-diethyl-2,6-dimethylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,n-diethyl-2,6-dimethylaniline?
Yes, KEHONG BIO provides custom synthesis services for N,n-diethyl-2,6-dimethylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.