Trigonelline
CAS Registry Number®
535-83-1
No image available.
CAS Name
TrigonellineMolecular Formula
C7H7NO2Cite this Page
Trigonelline. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?ref=535-83-1 (retrieved ) (CAS RN: 535-83-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
234-236 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3
InChIKey
InChIKey=WWNNZCOKKKDOPX-UHFFFAOYSA-N
SMILES
C([O-])(=O)C1=C[N+](C)=CC=C1
Canonical SMILES
O=C([O-])C1=CC=C[N+](=C1)C
Other Names for this Substance
- Pyridinium, 3-carboxy-1-methyl-, inner salt
- Pyridinium, 3-carboxy-1-methyl-, hydroxide, inner salt
- Betaine nicotinate
- Caffearine
- Coffearine
