2-Ethylhexanenitrile
TL;DR: 2-Ethylhexanenitrile (CAS 4528-39-6) is a chemical compound with molecular formula C8H15N and molecular weight 125.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylhexanenitrile
Also Known As: 2-ethylhexanenitrile, 2-ethyl capronitrile, 2-ethyl-hexanenitrile, Hexanenitrile, 2-ethyl-, 2-ETHYLCAPRONITRILE
| Molecular Formula | C8H15N |
|---|---|
| Molecular Weight | 125.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 125.12045 |
| Heavy Atoms | 9 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 4528-39-6 |
|---|---|
| SMILES | CCCCC(CC)C#N |
| InChIKey | WYYVVEWZSRVHNF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethylhexanenitrile (CAS 4528-39-6), with molecular formula C8H15N and molecular weight 125.12 g/mol. IUPAC: 2-ethylhexanenitrile.
Chemical Property Profile of 2-Ethylhexanenitrile
Property Insights of 2-Ethylhexanenitrile
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethylhexanenitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 2-Ethylhexanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylhexanenitrile 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 2-Ethylhexanenitrile?
The CAS number of 2-Ethylhexanenitrile is 4528-39-6.
What is the molecular formula of 2-Ethylhexanenitrile?
The molecular formula of 2-Ethylhexanenitrile is C8H15N.
What is the molecular weight of 2-Ethylhexanenitrile?
The molecular weight of 2-Ethylhexanenitrile is 125.12 g/mol.
Where can I buy 2-Ethylhexanenitrile?
You can request a quote for 2-Ethylhexanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylhexanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylhexanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.