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| CAS No.: | 583-08-4 |
|---|---|
| Name: | NICOTINOYL-GLYCINE |
| Molecular Structure: | |
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| Formula: | C8H8N2O3 |
| Molecular Weight: | 180.163 |
| Synonyms: | Glycine,N-nicotinoyl- (6CI,7CI,8CI);2-(Nicotinylamino)acetic acid;NSC 71273;Nicotinoylglycine;Nicotinylglycine;Glycine,N-(3-pyridinylcarbonyl)-; |
| EINECS: | 209-497-0 |
| Density: | 1.343 g/cm3 |
| Melting Point: | 256-258 °C (dec.) |
| Boiling Point: | 512.5 °C at 760 mmHg |
| Flash Point: | 263.7 °C |
| Solubility: | Soluble in dimethyl sulfoxide, methanol, water, and 1M NH4OH (50 mg/mL). |
| Appearance: | white solid |
| Hazard Symbols: |
 Xi
|
| PSA: | 79.29000 |
| LogP: | 0.28690 |
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- Total:38 Page 1 of 1 1
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Specification
The Nicotinuric acid, with the CAS registry number 583-08-4, is also known as Glycine, N-(3-pyridinylcarbonyl)-. It belongs to the product categories of Amino Acids; Amino Acids & Derivatives. Its EINECS registry number is 209-497-0. This chemical's molecular formula is C8H8N2O3 and molecular weight is 180.16. What's more, its IUPAC name is 2-(Pyridine-3-carbonylamino)acetic acid. In addition, it must be stored at 0-5 °C. Besides, this chemical may cause inflammation to the skin or other mucous membranes. And Nicotinuric acid can be used as antiproliferative.
Physical properties about Nicotinuric acid are: (1)ACD/LogP: -0.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.87; (4)ACD/LogD (pH 7.4): -4.18; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 59.5 Å2; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 44.16 cm3; (15)Molar Volume: 134.1 cm3; (16)Polarizability: 17.5×10-24 cm3; (17)Surface Tension: 61.8 dyne/cm; (18)Density: 1.343 g/cm3; (19)Flash Point: 263.7 °C; (20)Enthalpy of Vaporization: 82.51 kJ/mol; (21)Boiling Point: 512.5 °C at 760 mmHg; (22)Vapour Pressure: 2.51E-11 mmHg at 25 °C.
Uses of Nicotinuric acid: it is used to produce other chemicals. For example, it is used to produce N-(2, 5-Dioxo-2H, 5H-pyrano[3, 2-c]chromen-3-yl)-nicotinamide. The reaction needs reagent Ac2O. The reaction time is 4 hours with reaction temperature of 80 °C. The yield is about 61 %.
![The Nicotinuric acid can react with 4-Hydroxy-chromen-2-one and Triethoxymethane to get N-(2, 5-Dioxo-2H, 5H-pyrano[3, 2-c]chromen-3-yl)-nicotinamide.](/UserFilesUpload/Uses of Nicotinuric acid.jpg)
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(NCC(=O)O)c1cccnc1
(2) InChI: InChI=1/C8H8N2O3/c11-7(12)5-10-8(13)6-2-1-3-9-4-6/h1-4H,5H2,(H,10,13)(H,11,12)
(3) InChIKey: ZBSGKPYXQINNGF-UHFFFAOYAK