2-(2-Chloroethanimidoyl)propanedinitrile
TL;DR: 2-(2-Chloroethanimidoyl)propanedinitrile (CAS 118645-77-5) is a chemical compound with molecular formula C5H4ClN3 and molecular weight 141.00937 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-chloroethanimidoyl)propanedinitrile
Also Known As: 2-(2-chloroethanimidoyl)propanedinitrile
Technical Specifications
| Molecular Formula | C5H4ClN3 |
| Molecular Weight | 141.00937 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 141.00937 Da |
| Heavy Atoms | 9 |
| Complexity | 187.0 |
| SMILES | C(C(=N)C(C#N)C#N)Cl |
| InChIKey | PIVKQVRRASDXCG-UHFFFAOYSA-N |
Chemical Property Profile of 2-(2-Chloroethanimidoyl)propanedinitrile
Property Insights of 2-(2-Chloroethanimidoyl)propanedinitrile
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Chloroethanimidoyl)propanedinitrile. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Chloroethanimidoyl)propanedinitrile. Following Lipinski's Rule of Five, 2-(2-Chloroethanimidoyl)propanedinitrile has 1 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-Chloroethanimidoyl)propanedinitrile?
The CAS number of 2-(2-Chloroethanimidoyl)propanedinitrile is 118645-77-5.
What is the molecular formula of 2-(2-Chloroethanimidoyl)propanedinitrile?
The molecular formula of 2-(2-Chloroethanimidoyl)propanedinitrile is C5H4ClN3.
What is the molecular weight of 2-(2-Chloroethanimidoyl)propanedinitrile?
The molecular weight of 2-(2-Chloroethanimidoyl)propanedinitrile is 141.00937 g/mol.
Where can I buy 2-(2-Chloroethanimidoyl)propanedinitrile?
You can request a quote for 2-(2-Chloroethanimidoyl)propanedinitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2-Chloroethanimidoyl)propanedinitrile?
Yes, CoreyChem provides custom synthesis services for 2-(2-Chloroethanimidoyl)propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.