CAS 5959-86-4

Pyrrolidinium, 1,1-dimethyl-2-(3-pyridinyl)-, iodide (1:1), (2S)-

Description:

Pyrrolidinium, 1,1-dimethyl-2-(3-pyridinyl)-, iodide (1:1), (2S)-, with CAS number 5959-86-4, is a quaternary ammonium compound characterized by its pyrrolidine and pyridine moieties. This substance typically appears as a white to off-white solid and is soluble in polar solvents such as water and alcohols, owing to its ionic nature. The presence of the iodide ion contributes to its solubility and can influence its reactivity and stability. As a quaternary ammonium salt, it exhibits properties such as being a good surfactant and having potential applications in various fields, including pharmaceuticals and materials science. The specific stereochemistry indicated by (2S) suggests a particular spatial arrangement of atoms, which can affect the compound's biological activity and interactions. Overall, this compound's unique structure and properties make it of interest in both research and industrial applications.

Formula: C₁₁H₁₇N₂·I

InChI: InChI=1S/C11H17N2.HI/c1-13(2)8-4-6-11(13)10-5-3-7-12-9-10;/h3,5,7,9,11H,4,6,8H2,1-2H3;1H/q+1;/p-1/t11-;/m0./s1

InChI key: InChIKey=RJQKOMLKVQFVMB-MERQFXBCSA-M

SMILES: C[N+]1(C)[C@H](C=2C=CC=NC2)CCC1.[I-]

Synonyms:

• (2S)-1,1-Dimethyl-2-(pyridin-3-yl)pyrrolidin-1-ium iodide
• 1,1-Dimethyl-2-(Pyridin-3-Yl)Pyrrolidinium Iodide
• Methylnicotinium iodide
• N-Methylnicotinium iodide
• Nicotine 1′-methiodide
• Nicotine monomethiodide
• Nicotine, methiodide (isomonomethyl)
• Nicotinium, 1'-methyl-, iodide, (-)-
• Pyrrolidinium, 1,1-dimethyl-2-(3-pyridinyl)-, iodide (1:1), (2S)-
• Pyrrolidinium, 1,1-dimethyl-2-(3-pyridinyl)-, iodide, (S)-
• Pyrrolidinium, 1,1-dimethyl-2-(3-pyridinyl)-, iodide, (S)- (9CI)

(S)-1’-Methylnicotinium Iodide

Controlled Product

CAS: 5959-86-4

Applications A metabolite of Nicotine.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Seeman, J.I. and Whidby, J.F.: J. Org. Chem., 41, 24, 3824 (1976), Oldendorf, W.H., et al.: Proc. Natl. Acad. Sci., USA, 90, 307 (1993)

Formula: C₁₁H₁₇N₂I

Color and Shape: Neat

Molecular weight: 304.17

Ref: TR-M323280