Vitamin B3 (CAS 59-67-6) — formula C6H5NO2, molecular weight 123.03 g/mol.
Vitamin B3 is a chemical compound with CAS registry number 59-67-6 and molecular formula C6H5NO2 (molecular weight 123.03 g/mol).
CAS number: 59-67-6
Its molecular formula C6H5NO2 comprises 6 C, 5 H, 1 N, 2 O atoms.
Also known as: Vitamin B3 · Nicotinic acid
The CAS registry number of Vitamin B3 is 59-67-6.
Molecular formula C6H5NO2, molecular weight 123.03 g/mol.
It is also registered under: Vitamin B3, Nicotinic acid.
Public-database records for Vitamin B3 (CAS 59-67-6), reproduced here for independent cross-checking.
| 已通报的危害声明 | H319 (99.8%), H402 |
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| 法规与食品接触 | FDA Substance added to food: NUTRIENT SUPPLEMENT CIR / INCI: Cosmetic ingredients (Niacin) -> CIR (Cosmetic Ingredient Review) CIR / INCI: Antistatic; Smoothing |
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| 沸点 | 292.4 |
|---|---|
| 熔点 | 457 °F (NTP, 1992) |
| 熔点 | 236-239 |
| 熔点 | 237 °C |
| 熔点 | 236.6 °C |
| 闪点 | 193 °C (379 °F) - closed cup |
| 闪点 | 193 °C c.c. |
| 溶解度 | 10 to 50 mg/mL at 63 °F (NTP, 1992) |
| 溶解度 | 18000 |
| 溶解度 | In water, 1.8X10+4 mg/L at 20 °C |
| CAS 号 | 59-67-6 |
|---|---|
| PubChem CID | 938 |
| 分子式 | C6H5NO2 |
| 分子量 | 123.03 g/mol |
| IUPAC 名称 | pyridine-3-carboxylic acid |
| InChIKey | PVNIIMVLHYAWGP-UHFFFAOYSA-N |
| UNII（FDA） | 2679MF687A |
| ChEBI 编号 | CHEBI:15940 |
| ATC 编码（WHO） | C04AC01 |
nicotinic acid; niacin; 59-67-6; Pyridine-3-carboxylic acid; 3-pyridinecarboxylic acid; 3-Carboxypyridine; Akotin; wampocap; Apelagrin; Pellagrin; Daskil; Efacin; Niaspan; Pelonin; Linic; Nicyl
| 分子量 | 123.11 |
|---|---|
| XLogP3 | 0.4 |
| 氢键供体数 | 1 |
| 氢键受体数 | 3 |
| 可旋转键数 | 1 |
| 精确质量 | 123.032028402 |
| 单同位素质量 | 123.032028402 |
| 拓扑极性表面积 | 50.2 |
| 重原子数 | 9 |
| 形式电荷 | 0 |
烟酸 的 CAS 号为 59-67-6，分子式 C6H5NO2，分子量 123.03 g/mol。 UNII 2679MF687A; ChEBI 15940; InChIKey PVNIIMVLHYAWGP-UHFFFAOYSA-N. 沸点: 292.4; 熔点: 457 °F (NTP, 1992); 熔点: 236-239.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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