CAS 126-50-1

4-Acetyl-4-(2-cyanoethyl)heptanedinitrile

Description:

4-Acetyl-4-(2-cyanoethyl)heptanedinitrile, with the CAS number 126-50-1, is a chemical compound characterized by its structure, which includes a heptanedinitrile backbone with an acetyl group and a cyanoethyl substituent. This compound typically appears as a colorless to pale yellow liquid or solid, depending on the temperature and purity. It is known for its reactivity due to the presence of multiple nitrile groups, which can participate in various chemical reactions, including nucleophilic additions and polymerization processes. The acetyl group contributes to its potential as a precursor in organic synthesis, while the cyanoethyl moiety can enhance its utility in forming complex organic molecules. In terms of solubility, it is generally soluble in organic solvents, making it suitable for various applications in organic chemistry and materials science. Safety precautions should be observed when handling this compound, as it may pose health risks due to its chemical nature.

Formula: C₁₂H₁₅N₃O

InChI: InChI=1S/C12H15N3O/c1-11(16)12(5-2-8-13,6-3-9-14)7-4-10-15/h2-7H2,1H3

InChI key: InChIKey=JEQZAEPYFGSAIF-UHFFFAOYSA-N

SMILES: C(CCC#N)(CCC#N)(CCC#N)C(C)=O

Synonyms:

• 1,1,1-Tris(2-cyanoethyl)acetone
• 1,1,1-Tris(2-cyanoethyl)-2-propanone
• 1,1,1-Tris(β-cyanoethyl)acetone
• Heptanedinitrile, 4-acetyl-4-(2-cyanoethyl)-
• 4-Acetyl-4-(2-cyanoethyl)heptanedinitrile

4-acetyl-4-(2-cyanoethyl)heptanedinitrile

CAS: 126-50-1

Formula: C₁₂H₁₅N₃O

Molecular weight: 217.267

Ref: IN-DA000QOZ