N-(2-Ethyl-2-hexenyl)aniline
TL;DR: N-(2-Ethyl-2-hexenyl)aniline (CAS 68258-67-3) is a chemical compound with molecular formula C14H21N and molecular weight 203.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-ethylhex-2-enyl)aniline
Also Known As: N-(2-Ethyl-2-hexenyl)aniline, Benzenamine, N-(2-ethyl-2-hexenyl)-, Aniline, N-(2-ethyl-2-hexenyl)-, Benzenamine, N-(2-ethyl-2-hexen-1-yl)-
| Molecular Formula | C14H21N |
|---|---|
| Molecular Weight | 203.17 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 203.1674 |
| Heavy Atoms | 15 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 68258-67-3 |
|---|---|
| SMILES | CCCC=C(CC)CNC1=CC=CC=C1 |
| InChIKey | BYYMMAFVCCUWRF-UHFFFAOYSA-N |
Product Overview
N-(2-Ethyl-2-hexenyl)aniline (CAS 68258-67-3), with molecular formula C14H21N and molecular weight 203.17 g/mol. IUPAC: N-(2-ethylhex-2-enyl)aniline.
Chemical Property Profile of N-(2-Ethyl-2-hexenyl)aniline
Property Insights of N-(2-Ethyl-2-hexenyl)aniline
The XLogP value of 4.8 indicates that N-(2-Ethyl-2-hexenyl)aniline 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-(2-Ethyl-2-hexenyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-Ethyl-2-hexenyl)aniline 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-(2-Ethyl-2-hexenyl)aniline?
The CAS number of N-(2-Ethyl-2-hexenyl)aniline is 68258-67-3.
What is the molecular formula of N-(2-Ethyl-2-hexenyl)aniline?
The molecular formula of N-(2-Ethyl-2-hexenyl)aniline is C14H21N.
What is the molecular weight of N-(2-Ethyl-2-hexenyl)aniline?
The molecular weight of N-(2-Ethyl-2-hexenyl)aniline is 203.17 g/mol.
Where can I buy N-(2-Ethyl-2-hexenyl)aniline?
You can request a quote for N-(2-Ethyl-2-hexenyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Ethyl-2-hexenyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Ethyl-2-hexenyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.