Trigonelline

• Formula: C₇H₇NO₂
• Molecular weight: 137.1360
• IUPAC Standard InChI: InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3 Copy

  
• IUPAC Standard InChIKey: WWNNZCOKKKDOPX-UHFFFAOYSA-N Copy
• CAS Registry Number: 535-83-1
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Pyridinium, 3-carboxy-1-methyl-, hydroxide, inner salt; Betaine nicotinate; Caffearine; Coffearin; Coffearine; Gynesine; Trigenolline; Betain nicotinate; 3-Carboxy-1-methylpyridinium hydroxide inner salt; N-Methylnicotinate; N-Methylnicotinic acid; N'-Methylnicotinic acid; Nicotinic acid N-methylbetaine; Trigonellin; 1-methylpyridinio-3-carboxylate
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• Information on this page:
  • Notes
• Other data available:
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
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• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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