3,3'-(4-Chlorophenylimino)dipropionitrile
TL;DR: 3,3'-(4-Chlorophenylimino)dipropionitrile (CAS 100122-21-2) is a chemical compound with molecular formula C12H12ClN3 and molecular weight 233.07198 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[4-chloro-N-(2-cyanoethyl)anilino]propanenitrile
Also Known As: 3,3'-(4-chloro-phenylimino)-di-propionitrile, 3,3'-(4-CHLOROPHENYLIMINO)DIPROPIONITRILE, 3-[(4-chlorophenyl)(2-cyanoethyl)amino]propanenitrile, 3,3 -[(4-Chlorophenyl)imino]bispropanenitrile, 3-[4-chloro-N-(2-cyanoethyl)anilino]propanenitrile
Technical Specifications
| Molecular Formula | C12H12ClN3 |
| Molecular Weight | 233.07198 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 50.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 233.07198 Da |
| Heavy Atoms | 16 |
| Complexity | 270.0 |
| SMILES | C1=CC(=CC=C1N(CCC#N)CCC#N)Cl |
| InChIKey | PWPCWTLPMOTNGY-UHFFFAOYSA-N |
Chemical Property Profile of 3,3'-(4-Chlorophenylimino)dipropionitrile
Property Insights of 3,3'-(4-Chlorophenylimino)dipropionitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3'-(4-Chlorophenylimino)dipropionitrile. With a topological polar surface area (TPSA) of 50.8 Ų, 3,3'-(4-Chlorophenylimino)dipropionitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3'-(4-Chlorophenylimino)dipropionitrile 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 3,3'-(4-Chlorophenylimino)dipropionitrile?
The CAS number of 3,3'-(4-Chlorophenylimino)dipropionitrile is 100122-21-2.
What is the molecular formula of 3,3'-(4-Chlorophenylimino)dipropionitrile?
The molecular formula of 3,3'-(4-Chlorophenylimino)dipropionitrile is C12H12ClN3.
What is the molecular weight of 3,3'-(4-Chlorophenylimino)dipropionitrile?
The molecular weight of 3,3'-(4-Chlorophenylimino)dipropionitrile is 233.07198 g/mol.
Where can I buy 3,3'-(4-Chlorophenylimino)dipropionitrile?
You can request a quote for 3,3'-(4-Chlorophenylimino)dipropionitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,3'-(4-Chlorophenylimino)dipropionitrile?
Yes, CoreyChem provides custom synthesis services for 3,3'-(4-Chlorophenylimino)dipropionitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.