4-Methylpentanenitrile
TL;DR: 4-Methylpentanenitrile (CAS 542-54-1) is a chemical compound with molecular formula C6H11N and molecular weight 97.08915 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methylpentanenitrile
Also Known As: Isocapronitrile, 4-Methylpentanenitrile, Isoamyl cyanide, 4-Methylvaleronitrile, Pentanenitrile, 4-methyl-
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H11N |
| Molecular Weight | 97.08915 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 97.08915 Da |
| Heavy Atoms | 7 |
| Complexity | 75.0 |
| Vapor Pressure | 3.69 [mmHg] |
| SMILES | CC(C)CCC#N |
| InChIKey | DUJMVKJJUANUMQ-UHFFFAOYSA-N |
Product Description
Applications: 4-Methylpentanenitrile is used in polymer chemistry and functional materials synthesis, as well as imaging, photographic, and photosensitive formulations. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
4-Methylpentanenitrile is a polymer intermediate identified by CAS number 542-54-1 and the molecular formula C6H11N and a molecular weight of 97.09 g/mol. Synonyms include Isocapronitrile and 4-Methylpentanenitrile.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 4-Methylpentanenitrile
Property Insights of 4-Methylpentanenitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylpentanenitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 4-Methylpentanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylpentanenitrile 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 4-Methylpentanenitrile?
The CAS number of 4-Methylpentanenitrile is 542-54-1.
What is the molecular formula of 4-Methylpentanenitrile?
The molecular formula of 4-Methylpentanenitrile is C6H11N.
What is the molecular weight of 4-Methylpentanenitrile?
The molecular weight of 4-Methylpentanenitrile is 97.08915 g/mol.
What are the applications of 4-Methylpentanenitrile?
4-Methylpentanenitrile is used in polymer chemistry and functional materials synthesis, as well as imaging, photographic, and photosensitive formulations. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis...
Where can I buy 4-Methylpentanenitrile?
You can request a quote for 4-Methylpentanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Methylpentanenitrile?
Yes, CoreyChem provides custom synthesis services for 4-Methylpentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.