Octanenitrile
TL;DR: Octanenitrile (CAS 124-12-9) 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.
octanenitrile
Also Known As: Octanenitrile, Caprylonitrile, Heptyl cyanide, Caprylnitrile, 1-Cyanoheptane
| 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 | 5 |
| Exact Mass | 125.12045 |
| Heavy Atoms | 9 |
| Complexity | 88.0 |
| Melting Point | -45.6 °C |
| Boiling Point | 205.2 °C @760 [mm Hg] |
| Density | 0.8136 @ 20°C |
| Vapor Pressure | 0.39 [mmHg] |
Chemical Identifiers
| CAS Number | 124-12-9 |
|---|---|
| SMILES | CCCCCCCC#N |
| InChIKey | YSIMAPNUZAVQER-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octanenitrile (CAS 124-12-9), with molecular formula C8H15N and molecular weight 125.12 g/mol. IUPAC: octanenitrile.
Chemical Property Profile of Octanenitrile
Property Insights of Octanenitrile
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octanenitrile. With a topological polar surface area (TPSA) of 23.8 Ų, Octanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octanenitrile 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 Octanenitrile?
The CAS number of Octanenitrile is 124-12-9.
What is the molecular formula of Octanenitrile?
The molecular formula of Octanenitrile is C8H15N.
What is the molecular weight of Octanenitrile?
The molecular weight of Octanenitrile is 125.12 g/mol.
Where can I buy Octanenitrile?
You can request a quote for Octanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octanenitrile?
Yes, KEHONG BIO provides custom synthesis services for Octanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.