CAS 1228453-28-8

1,1-Dimethylethyl 4-aminohexahydro-5-methyl-1H-azepine-1-carboxylate

Description:

1,1-Dimethylethyl 4-aminohexahydro-5-methyl-1H-azepine-1-carboxylate, with the CAS number 1228453-28-8, is a chemical compound that belongs to the class of azepines, which are seven-membered heterocyclic compounds containing nitrogen. This substance features a carboxylate functional group, indicating it has acidic properties, and an amino group, which contributes to its potential as a building block in pharmaceuticals or agrochemicals. The presence of dimethyl groups suggests steric hindrance, which can influence its reactivity and interaction with biological targets. The hexahydro structure indicates that it is saturated, which typically enhances stability and solubility in various solvents. Its specific stereochemistry and functional groups may impart unique biological activities, making it of interest in medicinal chemistry. Overall, this compound's characteristics suggest potential applications in drug development, although detailed studies would be necessary to fully understand its properties and behavior in biological systems.

Formula: C₁₂H₂₄N₂O₂

InChI: InChI=1S/C12H24N2O2/c1-9-5-7-14(8-6-10(9)13)11(15)16-12(2,3)4/h9-10H,5-8,13H2,1-4H3

InChI key: InChIKey=LXHKJNUHNLXPDI-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)N1CCC(C)C(N)CC1

Synonyms:

• 1H-Azepine-1-carboxylic acid, 4-aminohexahydro-5-methyl-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl 4-aminohexahydro-5-methyl-1H-azepine-1-carboxylate