Heptanenitrile
TL;DR: Heptanenitrile (CAS 629-08-3) is a chemical compound with molecular formula C7H13N and molecular weight 111.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptanenitrile
Also Known As: HEPTANENITRILE, Heptanonitrile, Enanthonitrile, Hexyl cyanide, 1-Cyanohexane
| Molecular Formula | C7H13N |
|---|---|
| Molecular Weight | 111.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 111.1048 |
| Heavy Atoms | 8 |
| Complexity | 77.0 |
| Vapor Pressure | 0.72 [mmHg] |
Chemical Identifiers
| CAS Number | 629-08-3 |
|---|---|
| SMILES | CCCCCCC#N |
| InChIKey | SDAXRHHPNYTELL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Heptanenitrile (CAS 629-08-3), with molecular formula C7H13N and molecular weight 111.10 g/mol. IUPAC: heptanenitrile.
Chemical Property Profile of Heptanenitrile
Property Insights of Heptanenitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Heptanenitrile. With a topological polar surface area (TPSA) of 23.8 Ų, Heptanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptanenitrile 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 Heptanenitrile?
The CAS number of Heptanenitrile is 629-08-3.
What is the molecular formula of Heptanenitrile?
The molecular formula of Heptanenitrile is C7H13N.
What is the molecular weight of Heptanenitrile?
The molecular weight of Heptanenitrile is 111.10 g/mol.
Where can I buy Heptanenitrile?
You can request a quote for Heptanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptanenitrile?
Yes, KEHONG BIO provides custom synthesis services for Heptanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.