3-Butenenitrile
TL;DR: 3-Butenenitrile (CAS 109-75-1) is a chemical compound with molecular formula C4H5N and molecular weight 67.0422 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
but-3-enenitrile
Also Known As: Allyl cyanide, 3-BUTENENITRILE, but-3-enenitrile, Allylnitrile, Vinylacetonitrile
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H5N |
| Molecular Weight | 67.0422 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 67.0422 Da |
| Heavy Atoms | 5 |
| Complexity | 65.0 |
| Melting Point | -87 °C |
| Vapor Pressure | 18.5 [mmHg] |
| SMILES | C=CCC#N |
| InChIKey | SJNALLRHIVGIBI-UHFFFAOYSA-N |
Chemical Property Profile of 3-Butenenitrile
Property Insights of 3-Butenenitrile
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butenenitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 3-Butenenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butenenitrile 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 3-Butenenitrile?
The CAS number of 3-Butenenitrile is 109-75-1.
What is the molecular formula of 3-Butenenitrile?
The molecular formula of 3-Butenenitrile is C4H5N.
What is the molecular weight of 3-Butenenitrile?
The molecular weight of 3-Butenenitrile is 67.0422 g/mol.
Where can I buy 3-Butenenitrile?
You can request a quote for 3-Butenenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Butenenitrile?
Yes, CoreyChem provides custom synthesis services for 3-Butenenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.