Malononitrile, (1-ethynylcyclohexyl)-
TL;DR: Malononitrile, (1-ethynylcyclohexyl)- (CAS 73747-66-7) is a chemical compound with molecular formula C11H12N2 and molecular weight 172.10005 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-cyclohexylethynyl)propanedinitrile
Also Known As: (1-(1-Ethynyl)cyclohexyl)malononitrile, MALONONITRILE, (1-ETHYNYLCYCLOHEXYL)-, (cyclohexylethynyl)propanedinitrile, 2-(2-cyclohexylethynyl)propanedinitrile, Propanedinitrile, (1-ethynylcyclohexyl)-
Technical Specifications
| Molecular Formula | C11H12N2 |
| Molecular Weight | 172.10005 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 172.10005 Da |
| Heavy Atoms | 13 |
| Complexity | 302.0 |
| SMILES | C1CCC(CC1)C#CC(C#N)C#N |
| InChIKey | LIQNZIMFFGLQRN-UHFFFAOYSA-N |
Chemical Property Profile of Malononitrile, (1-ethynylcyclohexyl)-
Property Insights of Malononitrile, (1-ethynylcyclohexyl)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Malononitrile, (1-ethynylcyclohexyl)-. With a topological polar surface area (TPSA) of 47.6 Ų, Malononitrile, (1-ethynylcyclohexyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Malononitrile, (1-ethynylcyclohexyl)- 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 Malononitrile, (1-ethynylcyclohexyl)-?
The CAS number of Malononitrile, (1-ethynylcyclohexyl)- is 73747-66-7.
What is the molecular formula of Malononitrile, (1-ethynylcyclohexyl)-?
The molecular formula of Malononitrile, (1-ethynylcyclohexyl)- is C11H12N2.
What is the molecular weight of Malononitrile, (1-ethynylcyclohexyl)-?
The molecular weight of Malononitrile, (1-ethynylcyclohexyl)- is 172.10005 g/mol.
Where can I buy Malononitrile, (1-ethynylcyclohexyl)-?
You can request a quote for Malononitrile, (1-ethynylcyclohexyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Malononitrile, (1-ethynylcyclohexyl)-?
Yes, CoreyChem provides custom synthesis services for Malononitrile, (1-ethynylcyclohexyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.