Valeronitrile
TL;DR: Valeronitrile (CAS 110-59-8) is a chemical compound with molecular formula C5H9N and molecular weight 83.0735 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
pentanenitrile
Also Known As: VALERONITRILE, Pentanenitrile, Butyl cyanide, n-Valeronitrile, 1-Cyanobutane
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H9N |
| Molecular Weight | 83.0735 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 83.0735 Da |
| Heavy Atoms | 6 |
| Complexity | 57.0 |
| Melting Point | -141 °F (NTP, 1992) |
| Boiling Point | 282 to 286 °F at 760 mmHg (NTP, 1992) |
| Density | 0.8008 at 68 °F (NTP, 1992) - Less dense than water; will float |
| Flash Point | 105 °F (NTP, 1992) |
| Vapor Pressure | 5 mmHg at 64.6 °F ; 10 mmHg at 86 °F; 20 mmHg at 109.9 °F (NTP, 1992) |
| Solubility | 1 to 5 mg/mL at 72.5 °F (NTP, 1992) |
| SMILES | CCCCC#N |
| InChIKey | RFFFKMOABOFIDF-UHFFFAOYSA-N |
Product Description
Applications: Valeronitrile is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. 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).
Valeronitrile (CAS 110-59-8) is a heterocyclic building block with the molecular formula C5H9N and a molecular weight of 83.07 g/mol. Key physical properties include a density of 0.8008 at 68 °F (NTP, 1992) - Less dense than water; will float g/cm³, a solubility: 1 to 5 mg/mL at 72.5 °F (NTP, 1992). Synonyms include VALERONITRILE and Pentanenitrile.
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 Valeronitrile
Property Insights of Valeronitrile
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Valeronitrile. With a topological polar surface area (TPSA) of 23.8 Ų, Valeronitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Valeronitrile 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 Valeronitrile?
The CAS number of Valeronitrile is 110-59-8.
What is the molecular formula of Valeronitrile?
The molecular formula of Valeronitrile is C5H9N.
What is the molecular weight of Valeronitrile?
The molecular weight of Valeronitrile is 83.0735 g/mol.
What are the applications of Valeronitrile?
Valeronitrile is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Valeronitrile?
You can request a quote for Valeronitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Valeronitrile?
Yes, CoreyChem provides custom synthesis services for Valeronitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.