CAS Registry Number®
6138-41-6
CAS Name
Trigonelline hydrochloride
Molecular Formula
C7H8NO2.Cl
Compound Properties
-
Melting Point (1)
243-244.5 °C (decomp)
Source(s)
- (1) Knowles, Wm. S.; Journal of Organic Chemistry, (1942), 7, 389-91, CAplus
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
- N-Methyl-3-carboxypyridinium chloride
Deleted or Replaced CAS Registry Numbers
209064-35-7
