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| CAS No.: | 54221-95-3 |
|---|---|
| Name: | 2-ACETYLAMINO-ISONICOTINIC ACID |
| Article Data: | 22 |
| Molecular Structure: | |
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| Formula: | C8H8N2O3 |
| Molecular Weight: | 180.163 |
| Synonyms: | Isonicotinicacid, 2-acetamido- (6CI,7CI);2-(Acetylamino)-4-carboxypyridine;2-(Acetylamino)-4-pyridinecarboxylic acid;2-(Acetylamino)isonicotinic acid;2-Acetamidoisonicotinic acid;2-Acetamidopyridine-4-carboxylic acid; |
| Density: | 1.404 g/cm3 |
| Melting Point: | 286-290 °C |
| Boiling Point: | 585.3 °C at 760 mmHg |
| Flash Point: | 307.8 °C |
| Hazard Symbols: |
 Xi
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| PSA: | 79.29000 |
| LogP: | 0.81120 |
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- Total:36 Page 1 of 1 1
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Specification
The 4-Pyridinecarboxylicacid, 2-(acetylamino)-, with the CAS registry number 54221-95-3, is also known as 2-(Acetylamino)isonicotinic acid 97%. It belongs to the product categories of Amines; Blocks; Carboxes; Pyridines. This chemical's molecular formula is C8H8N2O3 and molecular weight is 180.053492. Its IUPAC name is called 2-acetamidopyridine-4-carboxylic acid. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties of 4-Pyridinecarboxylicacid, 2-(acetylamino)-: (1)ACD/LogP: 0.83; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.628; (10)Molar Refractivity: 45.54 cm3; (11)Molar Volume: 128.2 cm3; (12)Surface Tension: 67.2 dyne/cm; (13)Density: 1.404 g/cm3; (14)Flash Point: 307.8 °C; (15)Enthalpy of Vaporization: 91.97 kJ/mol; (16)Boiling Point: 585.3 °C at 760 mmHg; (17)Vapour Pressure: 1.52E-14 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)NC1=NC=CC(=C1)C(=O)O
(2)InChI: InChI=1S/C8H8N2O3/c1-5(11)10-7-4-6(8(12)13)2-3-9-7/h2-4H,1H3,(H,12,13)(H,9,10,11)
(3)InChIKey: VNQIEKXUBYBTPS-UHFFFAOYSA-N