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CAS 1053656-94-2

:

1,1-Dimethylethyl hexahydro-6-(hydroxymethyl)-1H-1,4-diazepine-1-carboxylate

Description:
1,1-Dimethylethyl hexahydro-6-(hydroxymethyl)-1H-1,4-diazepine-1-carboxylate, identified by its CAS number 1053656-94-2, is a chemical compound characterized by its complex structure, which includes a diazepine ring. This compound features a hexahydro structure, indicating it is saturated and contains six carbon atoms in a cyclic arrangement. The presence of a hydroxymethyl group suggests it has functional properties that may influence its reactivity and solubility. The carboxylate group indicates that it can exist in a deprotonated form, which may enhance its interaction with other molecules, making it potentially useful in various chemical applications. The tert-butyl group (1,1-dimethylethyl) contributes to its steric bulk, which can affect its biological activity and stability. Overall, this compound's unique structural features may lend it properties of interest in medicinal chemistry, particularly in the development of pharmaceuticals or agrochemicals. Further studies would be necessary to fully elucidate its potential applications and biological effects.
Formula:C11H22N2O3
InChI:InChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-5-4-12-6-9(7-13)8-14/h9,12,14H,4-8H2,1-3H3
InChI key:InChIKey=RZCWERACOAHBGR-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1CC(CO)CNCC1
Synonyms:
  • 1H-1,4-Diazepine-1-carboxylic acid, hexahydro-6-(hydroxymethyl)-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl hexahydro-6-(hydroxymethyl)-1H-1,4-diazepine-1-carboxylate
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