Trigonelline hydrochloride

CAS Registry Number®

6138-41-6

CAS Name

Trigonelline hydrochloride

Molecular Formula

C7H8NO2.Cl

Cite this Page

Trigonelline hydrochloride.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6138-41-6 (retrieved 2024-12-28) (CAS RN: 6138-41-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    243-244.5 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H7NO2.ClH/c1-8-4-2-3-6(5-8)7(9)10;/h2-5H,1H3;1H

InChIKey

InChIKey=TZSYLWAXZMNUJB-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=C[N+](C)=CC=C1.[Cl-]

Canonical SMILES

[Cl-].O=C(O)C1=CC=C[N+](=C1)C

Other Names for this Substance

  • Pyridinium, 3-carboxy-1-methyl-, chloride (1:1)
  • Pyridinium, 3-carboxy-1-methyl-, chloride
  • 3-Carboxy-1-methylpyridinium chloride
  • Trigonelline, chloride
  • Trigonelline hydrochloride

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Deleted or Replaced CAS Registry Numbers

209064-35-7

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