Acetylenedicarbonitrile
TL;DR: Acetylenedicarbonitrile (CAS 1071-98-3) is a chemical compound with molecular formula C4N2 and molecular weight 76.00615 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
but-2-ynedinitrile
Also Known As: Dicyanoacetylene, 2-Butynedinitrile, but-2-ynedinitrile, Dicyanoethyne, dicyanovinylene
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4N2 |
| Molecular Weight | 76.00615 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 76.00615 Da |
| Heavy Atoms | 6 |
| Complexity | 163.0 |
| SMILES | C(#CC#N)C#N |
| InChIKey | ZEHZNAXXOOYTJM-UHFFFAOYSA-N |
Chemical Property Profile of Acetylenedicarbonitrile
Property Insights of Acetylenedicarbonitrile
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetylenedicarbonitrile. With a topological polar surface area (TPSA) of 47.6 Ų, Acetylenedicarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetylenedicarbonitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Acetylenedicarbonitrile?
The CAS number of Acetylenedicarbonitrile is 1071-98-3.
What is the molecular formula of Acetylenedicarbonitrile?
The molecular formula of Acetylenedicarbonitrile is C4N2.
What is the molecular weight of Acetylenedicarbonitrile?
The molecular weight of Acetylenedicarbonitrile is 76.00615 g/mol.
Where can I buy Acetylenedicarbonitrile?
You can request a quote for Acetylenedicarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetylenedicarbonitrile?
Yes, CoreyChem provides custom synthesis services for Acetylenedicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.