5-Methylhexanenitrile
TL;DR: 5-Methylhexanenitrile (CAS 19424-34-1) is a chemical compound with molecular formula C7H13N and molecular weight 111.1048 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methylhexanenitrile
Also Known As: 5-METHYLHEXANENITRILE, Isohexylcyanid, Hexanenitrile, 5-methyl-, 4-Methylpentyl cyanide, Hexanenitrile,5-methyl-
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H13N |
| Molecular Weight | 111.1048 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 111.1048 Da |
| Heavy Atoms | 8 |
| Complexity | 85.0 |
| SMILES | CC(C)CCCC#N |
| InChIKey | CHWIKAJVZUSSML-UHFFFAOYSA-N |
Chemical Property Profile of 5-Methylhexanenitrile
Property Insights of 5-Methylhexanenitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methylhexanenitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 5-Methylhexanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methylhexanenitrile 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
What is the CAS number of 5-Methylhexanenitrile?
The CAS number of 5-Methylhexanenitrile is 19424-34-1.
What is the molecular formula of 5-Methylhexanenitrile?
The molecular formula of 5-Methylhexanenitrile is C7H13N.
What is the molecular weight of 5-Methylhexanenitrile?
The molecular weight of 5-Methylhexanenitrile is 111.1048 g/mol.
Where can I buy 5-Methylhexanenitrile?
You can request a quote for 5-Methylhexanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Methylhexanenitrile?
Yes, CoreyChem provides custom synthesis services for 5-Methylhexanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.