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CAS 1174020-26-8

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1,1-Dimethylethyl (4R)-4-aminohexahydro-1H-azepine-1-carboxylate

Description:
1,1-Dimethylethyl (4R)-4-aminohexahydro-1H-azepine-1-carboxylate, identified by its CAS number 1174020-26-8, is a chemical compound characterized by its unique structural features. It contains a hexahydro-1H-azepine ring, which is a saturated seven-membered nitrogen-containing heterocycle, indicating potential for various interactions due to the presence of the amino group and carboxylate functionality. The presence of the 1,1-dimethylethyl group suggests steric hindrance, which can influence the compound's reactivity and solubility. This compound may exhibit biological activity, making it of interest in pharmaceutical research, particularly in the development of new therapeutic agents. Its stereochemistry, denoted by the (4R) configuration, implies specific spatial arrangements that can affect its interaction with biological targets. Overall, the characteristics of this compound, including its molecular structure and functional groups, contribute to its potential applications in medicinal chemistry and related fields.
Formula:C11H22N2O2
InChI:InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-7-4-5-9(12)6-8-13/h9H,4-8,12H2,1-3H3/t9-/m1/s1
InChI key:InChIKey=YCOKHOLOSGJEGL-SECBINFHSA-N
SMILES:C(OC(C)(C)C)(=O)N1CC[C@H](N)CCC1
Synonyms:
  • 1H-Azepine-1-carboxylic acid, 4-aminohexahydro-, 1,1-dimethylethyl ester, (4R)-
  • 1,1-Dimethylethyl (4R)-4-aminohexahydro-1H-azepine-1-carboxylate
  • (R)-tert-Butyl 4-aminoazepan-1-carboxylate
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