Trigonelline

CAS Registry Number®

535-83-1

CAS Name

Trigonelline

Molecular Formula

C7H7NO2

Cite this Page

Trigonelline.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=535-83-1 (retrieved 2024-11-21) (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

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration