CAS 21539-53-7

3-[(1,1-Dimethylethyl)amino]propanenitrile

Description:

3-[(1,1-Dimethylethyl)amino]propanenitrile, with the CAS number 21539-53-7, is an organic compound characterized by the presence of a propanenitrile group and a tert-butylamino substituent. This compound features a three-carbon chain (propanenitrile) with a cyano group (-CN) attached to the terminal carbon, which contributes to its reactivity and potential applications in organic synthesis. The tert-butylamino group, derived from 1,1-dimethylethylamine, imparts steric hindrance, influencing the compound's chemical behavior and interactions. Typically, compounds of this nature may exhibit properties such as moderate polarity due to the nitrile functional group, which can engage in hydrogen bonding and dipole-dipole interactions. The presence of the amino group suggests potential basicity, allowing it to participate in various chemical reactions, including nucleophilic substitutions. Overall, 3-[(1,1-Dimethylethyl)amino]propanenitrile is of interest in medicinal chemistry and materials science, where its unique structural features may be leveraged for the development of pharmaceuticals or agrochemicals.

Formula: C₇H₁₄N₂

InChI: InChI=1S/C7H14N2/c1-7(2,3)9-6-4-5-8/h9H,4,6H2,1-3H3

InChI key: InChIKey=DGXPYBHONIFYLU-UHFFFAOYSA-N

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

Synonyms:

• 3-(Tert-Butylamino)Propanenitrile
• 3-(tert-Butylamino)propionitrile
• 3-[(1,1-Dimethylethyl)amino]propanenitrile
• 3-[(tert-Butyl)amino]propanenitrile
• N-tert-Butylcyanoethylamine
• Propanenitrile, 3-[(1,1-dimethylethyl)amino]-
• Propionitrile, 3-(tert-butylamino)-

3-(tert-Butylamino)propanenitrile

CAS: 21539-53-7

Formula: C₇H₁₄N₂

Purity: 97%

Color and Shape: Liquid

Molecular weight: 126.1995

Ref: IN-DA007Q41

3-(tert-Butylamino)propionitrile

CAS: 21539-53-7

3-(tert-Butylamino)propionitrile

Purity: 99%

Molecular weight: 126.20g/mol

Ref: 54-OR322043

3-(tert-Butylamino)propionitrile

CAS: 21539-53-7

Formula: C₇H₁₄N₂

Purity: 97%

Color and Shape: Liquid

Molecular weight: 126.203

Ref: 10-F018333

3-(tert-Butylamino)propionitrile

CAS: 21539-53-7

3-(tert-Butylamino)propionitrile is a n-substituted dipole with a molecular weight of 131.2. It has two conformations, the axial conformation and the conformational conformation. It is an electron rich compound with a positive charge on one end and a negative charge on the other end of the molecule that can be attributed to the tert-butyl group. 3-(tert-Butylamino)propionitrile is used in the preparation of hexahydropyrimidines, which are heterocycles that have been used as antihypertensive agents and anticonvulsants.

Formula: C₇H₁₄N₂

Purity: Min. 95%

Molecular weight: 126.2 g/mol

Ref: 3D-WAA53953