Trigonelline

Datasheet MSDS
Catalog Number
ANC00143
Product Name
Trigonelline
Structure
Trigonelline
CAS Number
535-83-1
IUPAC Name
1-methylpyridin-1-ium-3-carboxylate
Synonyms
betainnicotinate; Caffearine; Coffearin; Coffearine; Gynesine; n'-methylnicotinicacid; NicotinicacidN-methylbetaine; nicotinicacidn-methylbetaine
Molecular Formula
C7H7NO2
Molecular Weight
137.14
Appearance
Powder
Purity
>98%
SMILES
C[N+]1=CC=CC(=C1)C(=O)[O-]
InChI
InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3
InChI Key
WWNNZCOKKKDOPX-UHFFFAOYSA-N
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