CAS Number535-83-1
SynonymsBetain nicotinate; Trigonelline; N-methyl-3-carboxypyridinium; Gynesis; Coffearine; Gynesine; Pyridinium, 3-carboxy-1-methyl-, inner salt; Trigenolline; 1-methylpyridinium-3-carbonate; Nicotinic acid N-methylbetaine; 1-methyl-3-pyridinium carboxylate; 1-Methylpyridinium-3-carboxylate; Pyridinium, 3-carboxy-1-methyl-, hydroxide, inner salt; Caffearine; 1-Methyl-3-pyridiniumcarboxylate; Trigonellin; Coffearin; N-Methylnicotinate
Molecular FormulaC7H7NO2
Molecular Weight155.15
Purity98.00%
Density1.2528 (rough estimate)
Boiling Point251.96°C (rough estimate)
Melting Point260ºC (dec.)
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 535-83-1 |
| Catalog No. | 2A-9022671 |
| Chinese Name | 葫芦巴碱 |
| Synonyms | Betain nicotinate; Trigonelline; N-methyl-3-carboxypyridinium; Gynesis; Coffearine; Gynesine; Pyridinium, 3-carboxy-1-methyl-, inner salt; Trigenolline; 1-methylpyridinium-3-carbonate; Nicotinic acid N-methylbetaine; 1-methyl-3-pyridinium carboxylate; 1-Methylpyridinium-3-carboxylate; Pyridinium, 3-carboxy-1-methyl-, hydroxide, inner salt; Caffearine; 1-Methyl-3-pyridiniumcarboxylate; Trigonellin; Coffearin; N-Methylnicotinate |
| Molecular Formula | C7H7NO2 |
| Molecular Weight | 155.15 |
| Purity | 98.00 |
| Density | 1.2528 (rough estimate) |
| Boiling Point | 251.96°C (rough estimate) |
| Melting Point | 260ºC (dec.) |
| Storage Condition | 2~8℃ |
| Application | Trigonelline is an alkaloid found in large amounts in coffee and has potential antidiabetic activity. |
| MDL Number | MFCD00054262 |
| SMILES | [n+]1(cc(ccc1)C(=O)[O-])C |
| InChI | 1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3 |
| InChI Key | WWNNZCOKKKDOPX-UHFFFAOYSA-N |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| MSDS | msds/22671_1_535_83_1.pdf |
| Transport Info | Product name: Trigonelline |
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