2-(2-Cyanobenzyl)malononitrile
TL;DR: 2-(2-Cyanobenzyl)malononitrile (CAS 153907-81-4) is a chemical compound with molecular formula C11H7N3 and molecular weight 181.064 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2-cyanophenyl)methyl]propanedinitrile
Also Known As: 2-(2-Cyanobenzyl)malononitrile, 2-(2-Cyanobenzyl)propanedinitrile, 2-[(2-cyanophenyl)methyl]propanedinitrile
Technical Specifications
| Molecular Formula | C11H7N3 |
| Molecular Weight | 181.064 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 71.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.064 Da |
| Heavy Atoms | 14 |
| Complexity | 315.0 |
| SMILES | C1=CC=C(C(=C1)CC(C#N)C#N)C#N |
| InChIKey | JWWPOMHLOHRXJN-UHFFFAOYSA-N |
Chemical Property Profile of 2-(2-Cyanobenzyl)malononitrile
Property Insights of 2-(2-Cyanobenzyl)malononitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Cyanobenzyl)malononitrile. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Cyanobenzyl)malononitrile. Following Lipinski's Rule of Five, 2-(2-Cyanobenzyl)malononitrile has 0 hydrogen bond donor(s) and 3 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-(2-Cyanobenzyl)malononitrile?
The CAS number of 2-(2-Cyanobenzyl)malononitrile is 153907-81-4.
What is the molecular formula of 2-(2-Cyanobenzyl)malononitrile?
The molecular formula of 2-(2-Cyanobenzyl)malononitrile is C11H7N3.
What is the molecular weight of 2-(2-Cyanobenzyl)malononitrile?
The molecular weight of 2-(2-Cyanobenzyl)malononitrile is 181.064 g/mol.
Where can I buy 2-(2-Cyanobenzyl)malononitrile?
You can request a quote for 2-(2-Cyanobenzyl)malononitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2-Cyanobenzyl)malononitrile?
Yes, CoreyChem provides custom synthesis services for 2-(2-Cyanobenzyl)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.