Trigonelline

About This Item

Molecular Formula	C₇H₇NO₂
CAS Number	535-83-1

FC-0675561

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Properties

Chemical Identifiers

IUPAC Name	1-methylpyridin-1-ium-3-carboxylate
SMILES	C[N+]1=CC=CC(=C1)C(=O)[O-]
InChI Key	WWNNZCOKKKDOPX-UHFFFAOYSA-N
InChI	InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3

Physical Properties

Melting Point

Colorless prisms. MP: 218 °C (decomposes). Very soluble in water. Soluble in alcohol; nearly insoluble in ether, benzene, and chloroform /Trigonelline anhydrous/

Safety Information

Hazard Class

Warning

Please refer to the Safety Data Sheet (SDS) for complete handling, storage, and disposal instructions. Follow all applicable regulations when working with this chemical reagent.