| Identification | |
| Name: | Pyridinium,3-carboxy-1-methyl-, inner salt |
| Synonyms: | Pyridinium,3-carboxy-1-methyl-, hydroxide, inner salt (8CI);Betaine nicotinate;Caffearine;Coffearin;Coffearine;Gynesine;N-Methylnicotinate;N-Methylnicotinic acid;Trigenolline;Trigonelline;1-methyl-1,2-dihydropyridine-3-carboxylic acid;N-methylnicotinic acid; |
| CAS: | 535-83-1 |
| EINECS: | 208-620-5 |
| Molecular Formula: | C7H7NO2 |
| Molecular Weight: | 137.1360 |
| InChI: | InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3 |
| Molecular Structure: |  |
| Properties | |
| Melting Point: | 260°C (dec.) |
| Flash Point: | °C |
| Boiling Point: | °Cat760mmHg |
| Density: | g/cm3 |
| Refractive index: | 1.554 |
| Solubility: | Soluble in alcohol; nearly insoluble in ether, benzene, and chloroform In water, 1.0X10+6 mg/L at 25 deg C (est) /miscible/ |
| Specification: |
Trigonelline is an alkaloid with chemical formula C7H7NO2. It is an inner salt formed by the addition of a methyl group to the nitrogen atom of niacin. Trigonelline is a product of the metabolism of niacin (vitamin B3) which is excreted in the urine |
| Flash Point: | °C |
| Color: | Colorless prisms Prisms from aqueous, alcohol, + water |
| Safety Data | |
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