Basic information
- CAS
70-19-9- Standard SMILES
O=C(OCC1CCCO1)c1cccnc1- InChIKey
RQAITHJHUFFEIV-UHFFFAOYSA-N- Molecular formula
- C11H13NO3
- Average molar mass
- 207.23 g/mol
- Monoisotopic mass
- 207.08954328
Overview
Thurfyl nicotinate is a member of pyridines and an aromatic carboxylic acid.
Names & identifiers
- Preferred name
- (Tetrahydro-2-furanyl)methyl 3-pyridinecarboxylate
- IUPAC
- oxolan-2-ylmethyl pyridine-3-carboxylate
- English name
- Tetrahydrofurfuryl nicotinate
- Molecular formula
- C11H13NO3
- Molecular weight
- 207.23
Names & synonyms
THURFYL NICOTINATE70-19-9nicotafurylF3B9JHL36WRefChem:906480(Tetrahydro-2-furanyl)methyl 3-pyridinecarboxylate200-727-5Tetrahydrofurfuryl nicotinateTrafuriloxolan-2-ylmethyl pyridine-3-carboxylateNicotinic acid, 2-tetrahydrofurylmethyl esterThurfyl nicotinate [BAN]
Show more names
TrafurylthurfylnicotinateTetrahydrofuryl nicotinatenicotin tetrahydrofurfuryl esterNicotinic acid (tetrahydrofuran-2-yl)methylNicotinic acid (tetrahydrofuran-2-yl)methyl ester3-Pyridinecarboxylicacid, (tetrahydro-2-furanyl)methyl ester
nicotinic acid tetrahydrofurfuryl esterUNII-F3B9JHL36WEINECS 200-727-5(Oxolan-2-yl)methyl pyridine-3-carboxylateOprea1_416472SCHEMBL1065912THURFYL NICOTINATE [MI]CHEMBL2105483
Database identifiers
- CAS
70-19-9
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Melting point
- 25 °C · <25 °C
- Boiling point
- 0.25 · bp0.25 114-116°
- Density
- 1.175 · 1.175±0.06 g/cm3(Predicted)
- pka
- 3.1 · 3.10±0.10(Predicted)
- Cosmetics Ingredients Functions
- SKIN CONDITIONING
- LogP
- 0.867 · 0.867 (est)
- FDA UNII
- 3 B9JHL36W · F3B9JHL36W
Chemistry & industry
Applications
UsesTetrahydrofurfuryl nicotinate is a derivative of Nicotinic Acid (N429250), a precursor of the coenzymes NAD and NADP. Widely distributed in nature; appreciable amounts are found in liver , fish, yeast and cereal grains. Dietary deficiency is associated with pellagra. The term “niacin” has also been applied to nicotinamide or to other derivatives exhibiting the biological activity of nicotinic acid. Vitamin (enzyme cofactor).
Suppliers3 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
Shaanxi Dideu Medichem Co. Ltd+86-17392712779 · [email protected]
Additional notes
DefinitionChEBI: Thurfyl nicotinate is a member of pyridines and an aromatic carboxylic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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