CAS 1354949-74-8

β-Alanine, N-[(8-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-, hydrochloride (1:1)

Description:

β-Alanine, N-[(8-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-, hydrochloride (1:1) is a chemical compound characterized by its unique structure, which includes a β-alanine moiety linked to a substituted benzodioxin. The presence of the bromine atom in the benzodioxin ring contributes to its reactivity and potential biological activity. As a hydrochloride salt, it is typically more soluble in water, enhancing its utility in various applications, including pharmaceuticals and biochemical research. The compound may exhibit properties such as being a potential neurotransmitter modulator or having implications in drug design due to its structural features. Its molecular interactions can be influenced by the functional groups present, which may affect its pharmacokinetics and pharmacodynamics. Safety and handling precautions should be observed, as with any chemical, particularly those with halogen substituents, which can pose environmental and health risks. Further studies would be necessary to fully elucidate its biological properties and potential applications.

Formula: C₁₂H₁₄BrNO₄·ClH

InChI: InChI=1S/C12H14BrNO4.ClH/c13-9-5-8(7-14-2-1-11(15)16)6-10-12(9)18-4-3-17-10;/h5-6,14H,1-4,7H2,(H,15,16);1H

InChI key: InChIKey=UOVIMRGFIKFXMW-UHFFFAOYSA-N

SMILES: BrC1=C2C(=CC(CNCCC(O)=O)=C1)OCCO2.Cl

Synonyms:

• β-Alanine, N-[(8-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-, hydrochloride (1:1)