CAS 1332530-96-7

3-Pyridinemethanamine, N-[2-[(hexahydro-1H-azepin-1-yl)sulfonyl]ethyl]-, ethanedioate (1:1)

Description:

3-Pyridinemethanamine, N-[2-[(hexahydro-1H-azepin-1-yl)sulfonyl]ethyl]-, ethanedioate (1:1), identified by CAS number 1332530-96-7, is a chemical compound characterized by its complex structure, which includes a pyridine ring and a hexahydro-1H-azepin moiety. This compound features a sulfonyl group, which enhances its reactivity and solubility in various solvents. The ethanedioate component indicates the presence of an oxalic acid derivative, suggesting potential applications in coordination chemistry or as a ligand. The presence of both nitrogen-containing groups and a sulfonyl group may impart unique biological properties, making it of interest in pharmaceutical research. Its molecular structure suggests potential interactions with biological targets, which could be explored for therapeutic applications. Additionally, the compound's stability and solubility characteristics would be important for its practical use in laboratory or industrial settings. Overall, this compound exemplifies the diverse functionalities that can be achieved through careful molecular design in organic chemistry.

Formula: C₁₄H₂₃N₃O₂S·C₂H₂O₄

InChI: InChI=1S/C14H23N3O2S.C2H2O4/c18-20(19,17-9-3-1-2-4-10-17)11-8-16-13-14-6-5-7-15-12-14;3-1(4)2(5)6/h5-7,12,16H,1-4,8-11,13H2;(H,3,4)(H,5,6)

InChI key: InChIKey=RDLLUNSXJNLNPF-UHFFFAOYSA-N

SMILES: S(CCNCC=1C=CC=NC1)(=O)(=O)N2CCCCCC2.C(C(O)=O)(O)=O

Synonyms:

• 3-Pyridinemethanamine, N-[2-[(hexahydro-1H-azepin-1-yl)sulfonyl]ethyl]-, ethanedioate (1:1)