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CAS 1624260-18-9

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1H-1,4-Diazepine-1,3-dicarboxylic acid, hexahydro-, 1-(1,1-dimethylethyl) 3-methyl ester, hydrochloride (1:1)

Description:
1H-1,4-Diazepine-1,3-dicarboxylic acid, hexahydro-, 1-(1,1-dimethylethyl) 3-methyl ester, hydrochloride (1:1), with CAS number 1624260-18-9, is a chemical compound characterized by its complex structure, which includes a diazepine ring and multiple functional groups. This compound typically exhibits properties associated with both basic and acidic functionalities due to the presence of carboxylic acid groups. The hexahydro configuration indicates a saturated cyclic structure, contributing to its stability and potential solubility in various solvents. The presence of the tert-butyl and methyl ester groups suggests that it may have lipophilic characteristics, which could influence its biological activity and pharmacokinetics. As a hydrochloride salt, it is likely to be more soluble in water compared to its free base form, enhancing its utility in pharmaceutical applications. Overall, this compound may exhibit interesting pharmacological properties, making it a subject of interest in medicinal chemistry and drug development.
Formula:C12H22N2O4·ClH
InChI:InChI=1S/C12H22N2O4.ClH/c1-12(2,3)18-11(16)14-7-5-6-13-9(8-14)10(15)17-4;/h9,13H,5-8H2,1-4H3;1H
InChI key:InChIKey=ZIQJLVHTVATWCZ-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1CC(C(OC)=O)NCCC1.Cl
Synonyms:
  • 1H-1,4-Diazepine-1,3-dicarboxylic acid, hexahydro-, 1-(1,1-dimethylethyl) 3-methyl ester, hydrochloride (1:1)
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