2-Cycloheptylidenepropanedinitrile
TL;DR: 2-Cycloheptylidenepropanedinitrile (CAS 10394-94-2) is a chemical compound with molecular formula C10H12N2 and molecular weight 160.10005 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-cycloheptylidenepropanedinitrile
Also Known As: Cycloheptylidenemalononitrile, 2-Cycloheptylidenemalononitrile, 2-Cycloheptylidenepropanedinitrile, 2-Cycloheptylidenemalononitrile #, 1,1-dicyano-2,2-hexamethyleneethene
Technical Specifications
| Molecular Formula | C10H12N2 |
| Molecular Weight | 160.10005 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 160.10005 Da |
| Heavy Atoms | 12 |
| Complexity | 253.0 |
| SMILES | C1CCCC(=C(C#N)C#N)CC1 |
| InChIKey | OCOVMEVAXXLNEQ-UHFFFAOYSA-N |
Chemical Property Profile of 2-Cycloheptylidenepropanedinitrile
Property Insights of 2-Cycloheptylidenepropanedinitrile
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cycloheptylidenepropanedinitrile. With a topological polar surface area (TPSA) of 47.6 Ų, 2-Cycloheptylidenepropanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cycloheptylidenepropanedinitrile 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-Cycloheptylidenepropanedinitrile?
The CAS number of 2-Cycloheptylidenepropanedinitrile is 10394-94-2.
What is the molecular formula of 2-Cycloheptylidenepropanedinitrile?
The molecular formula of 2-Cycloheptylidenepropanedinitrile is C10H12N2.
What is the molecular weight of 2-Cycloheptylidenepropanedinitrile?
The molecular weight of 2-Cycloheptylidenepropanedinitrile is 160.10005 g/mol.
Where can I buy 2-Cycloheptylidenepropanedinitrile?
You can request a quote for 2-Cycloheptylidenepropanedinitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Cycloheptylidenepropanedinitrile?
Yes, CoreyChem provides custom synthesis services for 2-Cycloheptylidenepropanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.