CAS 51652-08-5

Pyridinium, 3-(aminocarbonyl)-1-(3-sulfopropyl)-, inner salt

Description:

Pyridinium, 3-(aminocarbonyl)-1-(3-sulfopropyl)-, inner salt, with the CAS number 51652-08-5, is a quaternary ammonium compound characterized by its pyridine ring structure, which is substituted with an aminocarbonyl group and a sulfopropyl group. This compound typically exhibits properties associated with both pyridines and sulfonic acids, such as solubility in water due to the presence of the sulfonic acid moiety, which enhances its ionic character. The inner salt formation indicates that it exists in a zwitterionic state, balancing positive and negative charges within the molecule. This characteristic can influence its reactivity and interaction with other chemical species. Pyridinium derivatives are often utilized in various applications, including as surfactants, in pharmaceuticals, and as intermediates in organic synthesis. The presence of functional groups such as the amino and sulfonyl groups can also impart biological activity, making this compound of interest in medicinal chemistry and biochemistry. Overall, its unique structural features contribute to its potential utility in diverse chemical and industrial applications.

Formula: C₉H₁₂N₂O₄S

InChI: InChI=1S/C9H12N2O4S/c10-9(12)8-3-1-4-11(7-8)5-2-6-16(13,14)15/h1,3-4,7H,2,5-6H2,(H2-,10,12,13,14,15)

InChI key: InChIKey=XIBSUARVKSGYPL-UHFFFAOYSA-N

SMILES: C(N)(=O)C1=C[N+](CCCS(=O)(=O)[O-])=CC=C1

Synonyms:

• Pyridinium, 3-(aminocarbonyl)-1-(3-sulfopropyl)-, hydroxide, inner salt
• 3-Carbamoyl-1-(3-sulfopropyl)pyridinium hydroxide, inner salt
• Pyridinium, 3-(aminocarbonyl)-1-(3-sulfopropyl)-, inner salt