CAS 41609-04-5
:3-(benzylamino)cyclohex-2-en-1-one
Description:
3-(Benzylamino)cyclohex-2-en-1-one is an organic compound characterized by its cyclohexene structure, which features a double bond and a ketone functional group. The presence of the benzylamino group indicates that it has an amino group attached to a benzyl moiety, contributing to its reactivity and potential for forming hydrogen bonds. This compound typically exhibits a yellow to brown color in its solid state and is soluble in organic solvents due to its non-polar aromatic structure. It may participate in various chemical reactions, including nucleophilic substitutions and cycloadditions, owing to the reactivity of the double bond and the carbonyl group. The compound's unique structure makes it of interest in synthetic organic chemistry, particularly in the development of pharmaceuticals and agrochemicals. Its properties, such as melting point, boiling point, and spectral characteristics, can vary based on purity and environmental conditions. As with many organic compounds, handling should be done with care, considering potential toxicity and reactivity.
Formula:C13H15NO
InChI:InChI=1/C13H15NO/c15-13-8-4-7-12(9-13)14-10-11-5-2-1-3-6-11/h1-3,5-6,9,14H,4,7-8,10H2
SMILES:c1ccc(cc1)CNC1=CC(=O)CCC1
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Found 2 products.
3-(Benzylamino)cyclohex-2-en-1-one
CAS:<p>The linear regression for the molecular descriptors was performed using a vector-based algorithm with a correlating function. The correlation coefficients were used to detect outliers, which were then removed from the data set. A genetic algorithm was used to select descriptors and their corresponding weights that best describe the outlier removal process. This method was validated by testing it on a different data set.</p>Formula:C13H15NOPurity:Min. 95%Color and Shape:PowderMolecular weight:201.26 g/mol
