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CAS 117078-69-0

:

Benzoic acid, 2-(hexahydro-1-methyl-1H-azepin-4-yl)hydrazide, hydrochloride (1:1)

Description:
Benzoic acid, 2-(hexahydro-1-methyl-1H-azepin-4-yl)hydrazide, hydrochloride (1:1) is a chemical compound characterized by its hydrazide functional group, which is derived from benzoic acid. This compound features a hexahydro-1-methyl-1H-azepin moiety, contributing to its structural complexity and potential biological activity. As a hydrochloride salt, it is typically more soluble in water compared to its free base form, enhancing its utility in various applications, including pharmaceuticals. The presence of the azepin ring suggests potential interactions with biological targets, making it of interest in medicinal chemistry. Its CAS number, 117078-69-0, allows for precise identification in chemical databases. The compound may exhibit properties such as moderate melting points and specific reactivity patterns typical of hydrazides, including potential for forming derivatives through acylation or other chemical modifications. Overall, this compound's unique structure and properties may lend it to various applications in research and development, particularly in the field of drug discovery.
Formula:C14H21N3O·ClH
InChI:InChI=1S/C14H21N3O.ClH/c1-17-10-5-8-13(9-11-17)15-16-14(18)12-6-3-2-4-7-12;/h2-4,6-7,13,15H,5,8-11H2,1H3,(H,16,18);1H
InChI key:InChIKey=LBMOWZCEDIZQOM-UHFFFAOYSA-N
SMILES:C(NNC1CCN(C)CCC1)(=O)C2=CC=CC=C2.Cl
Synonyms:
  • Benzoic acid, 2-(hexahydro-1-methyl-1H-azepin-4-yl)hydrazide, hydrochloride (1:1)
  • Benzoic acid, 2-(hexahydro-1-methyl-1H-azepin-4-yl)hydrazide, monohydrochloride
  • N'-(1-Methylazepan-4-yl)benzohydrazide hydrochloride (1:1)
  • N'-(1-methylazepan-4-yl)benzohydrazide
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