2-Hexenedinitrile
TL;DR: 2-Hexenedinitrile (CAS 13042-02-9) is a chemical compound with molecular formula C6H6N2 and molecular weight 106.0531 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
hex-2-enedinitrile
Also Known As: 2-Hexenedinitrile, Dihydromucodinitrile, hex-2-enedinitrile, hexene-dinitrile, 1,4-Dicyano-1-butene
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H6N2 |
| Molecular Weight | 106.0531 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 106.0531 Da |
| Heavy Atoms | 8 |
| Complexity | 161.0 |
| SMILES | C(CC#N)C=CC#N |
| InChIKey | ZQOHAQBXINVHHC-UHFFFAOYSA-N |
Chemical Property Profile of 2-Hexenedinitrile
Property Insights of 2-Hexenedinitrile
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hexenedinitrile. With a topological polar surface area (TPSA) of 47.6 Ų, 2-Hexenedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hexenedinitrile 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 2-Hexenedinitrile?
The CAS number of 2-Hexenedinitrile is 13042-02-9.
What is the molecular formula of 2-Hexenedinitrile?
The molecular formula of 2-Hexenedinitrile is C6H6N2.
What is the molecular weight of 2-Hexenedinitrile?
The molecular weight of 2-Hexenedinitrile is 106.0531 g/mol.
Where can I buy 2-Hexenedinitrile?
You can request a quote for 2-Hexenedinitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Hexenedinitrile?
Yes, CoreyChem provides custom synthesis services for 2-Hexenedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.