CAS 1807938-51-7

2,4-Hexadien-1-one, 1-[3-[(methylamino)methyl]-1-pyrrolidinyl]-, hydrochloride (1:1)

Description:

2,4-Hexadien-1-one, 1-[3-[(methylamino)methyl]-1-pyrrolidinyl]-, hydrochloride (1:1) is a chemical compound characterized by its unique structure, which includes a hexadienone backbone and a pyrrolidine moiety. This compound features a double bond configuration that contributes to its reactivity and potential applications in organic synthesis. The presence of the methylamino group suggests that it may exhibit basic properties, which can influence its solubility and interaction with biological systems. As a hydrochloride salt, it is typically more stable and soluble in aqueous environments, making it suitable for various pharmaceutical formulations. The compound's molecular structure indicates potential for use in medicinal chemistry, particularly in the development of therapeutic agents. However, specific biological activity, toxicity, and pharmacokinetic properties would require further investigation through empirical studies. Overall, this compound represents a class of organic molecules that may have significant implications in drug discovery and development.

Formula: C₁₂H₂₀N₂O·ClH

InChI: InChI=1S/C12H20N2O.ClH/c1-3-4-5-6-12(15)14-8-7-11(10-14)9-13-2;/h3-6,11,13H,7-10H2,1-2H3;1H

InChI key: InChIKey=JUECDGDHKQVQBV-UHFFFAOYSA-N

SMILES: C(C=CC=CC)(=O)N1CC(CNC)CC1.Cl

Synonyms:

• 2,4-Hexadien-1-one, 1-[3-[(methylamino)methyl]-1-pyrrolidinyl]-, hydrochloride (1:1)

1-{3-[(Methylamino)methyl]pyrrolidin-1-yl}hexa-2,4-dien-1-one hydrochloride

CAS: 1807938-51-7

Versatile small molecule scaffold

Formula: C₁₂H₂₁ClN₂O

Purity: Min. 95%

Molecular weight: 244.76 g/mol

Ref: 3D-HXC93851