Products 535-83-1

CAS 535-83-1 appears in our catalog under these names: 1-Methylpyridin-1-ium-3-carboxylate, 99%, 1-Methylpyridinium-3-carboxylate, 95%, Trigonelline, 95%, Trigoneline, Trigonelline. Offered by: BLDpharm, Chemat, Combi-blocks, Chemat Brand, TRC. Available pack sizes: 100mg, 250mg, 1g, 20mg, on request, 500mg, 50mg, 5mg.

Structural formula: {0} (CAS {1})

N-methylnicotinate is an iminium betaine that is the conjugate base of N-methylnicotinic acid, arising from deprotonation of the carboxy group. It has a role as a plant metabolite, a food component and a human urinary metabolite. It is an alkaloid and an iminium betaine. It is functionally related to a nicotinate. It is a conjugate base of a N-methylnicotinic acid.

Source: ChEBI

Identity
Molecular formulaC7H7NO2
Molecular weight137.14 g/mol
IUPAC name1-methylpyridin-1-ium-3-carboxylate
InChIKeyWWNNZCOKKKDOPX-UHFFFAOYSA-N
SMILESC[N+]1=CC=CC(=C1)C(=O)[O-]

Computed by PubChem (NCBI)