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CAS 1523617-92-6

:

3,7-Diazabicyclo[3.3.1]nonane-3-carboxylic acid, 1,1-dimethylethyl ester, hydrochloride (1:1)

Description:
3,7-Diazabicyclo[3.3.1]nonane-3-carboxylic acid, 1,1-dimethylethyl ester, hydrochloride (1:1) is a chemical compound characterized by its bicyclic structure, which includes a diazabicyclo framework. This compound features a carboxylic acid derivative with an ester functional group, specifically a tert-butyl ester, which contributes to its lipophilicity and potential biological activity. The hydrochloride salt form indicates that it is a protonated species, enhancing its solubility in polar solvents, particularly water. The presence of nitrogen atoms in the bicyclic structure suggests potential basicity, which may influence its reactivity and interaction with biological systems. This compound may be of interest in medicinal chemistry due to its structural features that could facilitate interactions with biological targets. Its specific applications, toxicity, and pharmacological properties would require further investigation through empirical studies. As with any chemical substance, proper handling and safety protocols should be observed, especially when dealing with hydrochloride salts.
Formula:C12H23ClN2O2
InChI:InChI=1S/C12H22N2O2.ClH/c1-12(2,3)16-11(15)14-7-9-4-10(8-14)6-13-5-9;/h9-10,13H,4-8H2,1-3H3;1H
InChI key:InChIKey=JXPJPANOUYKOOA-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1CC2CC(C1)CNC2.Cl
Synonyms:
  • 3,7-Diazabicyclo[3.3.1]nonane-3-carboxylic acid, 1,1-dimethylethyl ester, hydrochloride (1:1)
  • 3,7-diazabicyclo[3.3.1]nonane-3-carboxylic acid, 1,1-dimethylethyl ester, hydrochloride
  • tert-Butyl 3,7-diazabicyclo[3.3.1]nonane-3-carboxylate hydrochloride
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