N-(1-ethylpropyl)-3,4-dimethylaniline
TL;DR: N-(1-ethylpropyl)-3,4-dimethylaniline (CAS 56038-89-2) is a chemical compound with molecular formula C13H21N and molecular weight 191.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethyl-N-pentan-3-ylaniline
Also Known As: N-(1-ethylpropyl)-3,4-dimethylaniline, 3,4-dimethyl-N-(pentan-3-yl)aniline, N-(1-Ethylpropyl)-3,4-Xylidine, 3,4-dimethyl-N-pentan-3-ylaniline, Pendimethalin Impurity 1
| Molecular Formula | C13H21N |
|---|---|
| Molecular Weight | 191.17 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 191.1674 |
| Heavy Atoms | 14 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 56038-89-2 |
|---|---|
| SMILES | CCC(CC)NC1=CC(=C(C=C1)C)C |
| InChIKey | ZOTRFGNOTDLOAU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(1-ethylpropyl)-3,4-dimethylaniline (CAS 56038-89-2), with molecular formula C13H21N and molecular weight 191.17 g/mol. IUPAC: 3,4-dimethyl-N-pentan-3-ylaniline.
Chemical Property Profile of N-(1-ethylpropyl)-3,4-dimethylaniline
Property Insights of N-(1-ethylpropyl)-3,4-dimethylaniline
The XLogP value of 5.0 indicates that N-(1-ethylpropyl)-3,4-dimethylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, N-(1-ethylpropyl)-3,4-dimethylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-ethylpropyl)-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 N-(1-ethylpropyl)-3,4-dimethylaniline?
The CAS number of N-(1-ethylpropyl)-3,4-dimethylaniline is 56038-89-2.
What is the molecular formula of N-(1-ethylpropyl)-3,4-dimethylaniline?
The molecular formula of N-(1-ethylpropyl)-3,4-dimethylaniline is C13H21N.
What is the molecular weight of N-(1-ethylpropyl)-3,4-dimethylaniline?
The molecular weight of N-(1-ethylpropyl)-3,4-dimethylaniline is 191.17 g/mol.
Where can I buy N-(1-ethylpropyl)-3,4-dimethylaniline?
You can request a quote for N-(1-ethylpropyl)-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 N-(1-ethylpropyl)-3,4-dimethylaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(1-ethylpropyl)-3,4-dimethylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.