CAS 1177272-51-3

Benzenamine, 3-(hexahydro-1H-azepin-2-yl)-N,N-dimethyl-, ethanedioate (1:1)

Description:

Benzenamine, 3-(hexahydro-1H-azepin-2-yl)-N,N-dimethyl-, ethanedioate (1:1), with CAS number 1177272-51-3, is a chemical compound characterized by its amine functional group and a hexahydroazepine ring structure. This compound features a dimethylamino group attached to a benzene ring, indicating it has potential basic properties due to the presence of the nitrogen atom. The ethanedioate component suggests that it forms a salt or complex with oxalic acid, which may influence its solubility and stability in various solvents. The hexahydro-1H-azepin-2-yl moiety contributes to the compound's cyclic structure, potentially affecting its reactivity and interaction with biological systems. Overall, this compound may exhibit unique pharmacological properties, making it of interest in medicinal chemistry and drug development. Its specific characteristics, such as melting point, boiling point, and solubility, would require empirical data for precise evaluation.

Formula: C₁₄H₂₂N₂·C₂H₂O₄

InChI: InChI=1S/C14H22N2.C2H2O4/c1-16(2)13-8-6-7-12(11-13)14-9-4-3-5-10-15-14;3-1(4)2(5)6/h6-8,11,14-15H,3-5,9-10H2,1-2H3;(H,3,4)(H,5,6)

InChI key: InChIKey=YVNPYLIMHNSLNN-UHFFFAOYSA-N

SMILES: N(C)(C)C=1C=C(C=CC1)C2CCCCCN2.C(C(O)=O)(O)=O

Synonyms:

• Benzenamine, 3-(hexahydro-1H-azepin-2-yl)-N,N-dimethyl-, ethanedioate (1:1)