CAS 1439899-26-9

2H-Azepin-2-one, 1-[4-(aminomethyl)phenyl]hexahydro-, hydrochloride (1:1)

Description:

2H-Azepin-2-one, 1-[4-(aminomethyl)phenyl]hexahydro-, hydrochloride (1:1) is a chemical compound characterized by its unique bicyclic structure, which includes a seven-membered azepine ring fused with a carbonyl group. This compound features a phenyl group substituted with an aminomethyl group, contributing to its potential biological activity. The hydrochloride salt form indicates that it is a protonated version of the base compound, enhancing its solubility in water and making it suitable for various applications, particularly in pharmaceutical formulations. The presence of the amino group suggests potential interactions with biological targets, which may be relevant in medicinal chemistry. Its molecular structure allows for various conformations, influencing its reactivity and interaction with other molecules. As with many organic compounds, safety and handling precautions are essential, particularly due to the potential for biological activity. Overall, this compound's characteristics make it of interest in research and development, particularly in the fields of medicinal chemistry and drug design.

Formula: C₁₃H₁₈N₂O·ClH

InChI: InChI=1S/C13H18N2O.ClH/c14-10-11-5-7-12(8-6-11)15-9-3-1-2-4-13(15)16;/h5-8H,1-4,9-10,14H2;1H

InChI key: InChIKey=SZNFBDWUAJMYAE-UHFFFAOYSA-N

SMILES: O=C1N(C2=CC=C(CN)C=C2)CCCCC1.Cl

Synonyms:

• 2H-Azepin-2-one, 1-[4-(aminomethyl)phenyl]hexahydro-, hydrochloride (1:1)

1-[4-(Aminomethyl)phenyl]azepan-2-one hydrochloride

CAS: 1439899-26-9

Formula: C₁₃H₁₉ClN₂O

Molecular weight: 254.76

Ref: 10-F096829