CAS 116491-51-1

2-(3,3-Dimethyl-1-butyn-1-yl)benzenamine

Description:

2-(3,3-Dimethyl-1-butyn-1-yl)benzenamine, with the CAS number 116491-51-1, is an organic compound characterized by its aromatic amine structure. It features a benzene ring substituted with an amine group (-NH2) and a branched alkyne side chain, specifically a 3,3-dimethyl-1-butynyl group. This compound is likely to exhibit properties typical of both aromatic amines and alkynes, including potential reactivity due to the presence of the triple bond in the alkyne, which can participate in various chemical reactions such as nucleophilic additions or cycloadditions. The presence of the amine group may also impart basicity and the ability to form hydrogen bonds, influencing its solubility and reactivity. Additionally, the bulky dimethyl groups can affect steric hindrance, potentially impacting the compound's reactivity and interactions with other molecules. Overall, this compound may find applications in organic synthesis, materials science, or as an intermediate in the production of more complex chemical entities.

Formula: C₁₂H₁₅N

InChI: InChI=1S/C12H15N/c1-12(2,3)9-8-10-6-4-5-7-11(10)13/h4-7H,13H2,1-3H3

InChI key: InChIKey=SMULJKWKGCGBMW-UHFFFAOYSA-N

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

Synonyms:

• Benzenamine, 2-(3,3-dimethyl-1-butyn-1-yl)-
• 2-(3,3-Dimethylbut-1-yn-1-yl)aniline
• 2-(2-tert-Butylethynyl)aniline
• Benzenamine, 2-(3,3-dimethyl-1-butynyl)-
• 2-(3,3-Dimethyl-1-butyn-1-yl)benzenamine

Benzenamine, 2-(3,3-dimethyl-1-butyn-1-yl)-

CAS: 116491-51-1

Formula: C₁₂H₁₅N

Molecular weight: 173.2542

Ref: IN-DA000CMX