CAS 1079651-22-1

1-Methyl-3-isoquinolinecarbonitrile

Description:

1-Methyl-3-isoquinolinecarbonitrile is a chemical compound characterized by its isoquinoline structure, which features a fused bicyclic system containing a nitrogen atom. This compound typically exhibits a pale yellow to brownish appearance and is known for its aromatic properties due to the presence of the isoquinoline moiety. The carbonitrile functional group (-C≡N) contributes to its reactivity, making it a potential candidate for various chemical reactions, including nucleophilic additions and cycloadditions. It is often utilized in organic synthesis and medicinal chemistry, where its derivatives may exhibit biological activity. The compound's solubility can vary depending on the solvent, but it is generally soluble in organic solvents. Additionally, 1-Methyl-3-isoquinolinecarbonitrile may possess specific spectral characteristics, such as distinct peaks in infrared (IR) and nuclear magnetic resonance (NMR) spectroscopy, which can be used for its identification and characterization in laboratory settings. Safety data should be consulted for handling and storage, as with any chemical substance.

Formula: C₁₁H₈N₂

InChI: InChI=1S/C11H8N2/c1-8-11-5-3-2-4-9(11)6-10(7-12)13-8/h2-6H,1H3

InChI key: InChIKey=KBFQQGXVUSXOAG-UHFFFAOYSA-N

SMILES: CC=1C2=C(C=C(C#N)N1)C=CC=C2

Synonyms:

• 1-Methyl-3-isoquinolinecarbonitrile
• 1-Methylisoquinoline-3-carbonitrile
• 3-Isoquinolinecarbonitrile, 1-methyl-

1-Methylisoquinoline-3-carbonitrile

CAS: 1079651-22-1

Formula: C₁₁H₈N₂

Molecular weight: 168.1946

Ref: IN-DA01EDV1