CAS 85803-63-0

2-(4-Methyl-1-piperazinyl)benzonitrile

Description:

2-(4-Methyl-1-piperazinyl)benzonitrile, with the CAS number 85803-63-0, is an organic compound characterized by its structure, which includes a benzonitrile moiety substituted with a 4-methyl-1-piperazinyl group. This compound typically appears as a solid and is known for its potential applications in medicinal chemistry, particularly in the development of pharmaceuticals. The presence of the piperazine ring contributes to its biological activity, often enhancing solubility and receptor binding properties. The nitrile functional group (–C≡N) is notable for its ability to participate in various chemical reactions, including nucleophilic additions and cycloadditions. Additionally, the methyl group on the piperazine ring can influence the compound's lipophilicity and overall pharmacokinetic profile. As with many organic compounds, its physical properties, such as melting point, boiling point, and solubility, can vary based on environmental conditions and the presence of other substances. Safety data should be consulted for handling and usage, as with all chemical substances.

Formula: C₁₂H₁₅N₃

InChI: InChI=1S/C12H15N3/c1-14-6-8-15(9-7-14)12-5-3-2-4-11(12)10-13/h2-5H,6-9H2,1H3

InChI key: InChIKey=RTVRHYSRKFDTFA-UHFFFAOYSA-N

SMILES: C(#N)C1=C(C=CC=C1)N2CCN(C)CC2

Synonyms:

• 2-(4-Methyl-1-piperazinyl)benzonitrile
• Benzonitrile, 2-(4-Methyl-1-Piperazinyl)-
• 2-(4-Methylpiperazin-1-yl)benzonitrile

2-(4-Methylpiperazin-1-yl)benzonitrile

CAS: 85803-63-0

Formula: C₁₂H₁₅N₃

Purity: 97%

Molecular weight: 201.2676

Ref: IN-DA003EX8

2-(4-Methylpiperazin-1-yl)benzonitrile

CAS: 85803-63-0

Formula: C₁₂H₁₅N₃

Purity: >97%

Color and Shape: Liquid

Molecular weight: 201.273

Ref: 10-F446712