2-Propynenitrile
TL;DR: 2-Propynenitrile (CAS 1070-71-9) is a chemical compound with molecular formula C3HN and molecular weight 51.0109 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
prop-2-ynenitrile
Also Known As: Cyanoacetylene, 2-Propynenitrile, PROPIOLONITRILE, prop-2-ynenitrile, Propynenitrile
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3HN |
| Molecular Weight | 51.0109 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 51.0109 Da |
| Heavy Atoms | 4 |
| Complexity | 84.0 |
| SMILES | C#CC#N |
| InChIKey | LNDJVIYUJOJFSO-UHFFFAOYSA-N |
Product Description
Applications: 2-Propynenitrile is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as polymer chemistry and functional materials synthesis. 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).
2-Propynenitrile is a heterocyclic building block identified by CAS number 1070-71-9 and the molecular formula C3HN and a molecular weight of 51.01 g/mol. Synonyms include Cyanoacetylene and 2-Propynenitrile.
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 2-Propynenitrile
Property Insights of 2-Propynenitrile
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propynenitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 2-Propynenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propynenitrile 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 2-Propynenitrile?
The CAS number of 2-Propynenitrile is 1070-71-9.
What is the molecular formula of 2-Propynenitrile?
The molecular formula of 2-Propynenitrile is C3HN.
What is the molecular weight of 2-Propynenitrile?
The molecular weight of 2-Propynenitrile is 51.0109 g/mol.
What are the applications of 2-Propynenitrile?
2-Propynenitrile is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 2-Propynenitrile?
You can request a quote for 2-Propynenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Propynenitrile?
Yes, CoreyChem provides custom synthesis services for 2-Propynenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.