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Name |
3-Pyridinecarboxylicacid, 6-(acetylamino)- |
EINECS | N/A |
CAS No. | 21550-48-1 | Density | 1.404g/cm3 |
PSA | 79.29000 | LogP | 0.81120 |
Solubility | N/A | Melting Point |
276-278°C |
Formula | C8H8N2O3 | Boiling Point | 484 °C at 760 mmHg |
Molecular Weight | 180.163 | Flash Point | 246.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Nicotinicacid, 6-acetamido- (6CI,7CI,8CI);6-(Acetylamino)nicotinic acid;6-(Acetylamino)pyridine-3-carboxylic acid;6-Acetamidonicotinic acid;6-Acetamidopyridine-3-carboxylic acid;NSC 117746; |
Article Data | 8 |
The 3-Pyridinecarboxylicacid, 6-(acetylamino)-, with CAS registry number 21550-48-1, belongs to the following product categories: (1)Amines; (2)Blocks; (3)Carboxes; (4)Pyridines. It has the systematic name of 6-(acetylamino)pyridine-3-carboxylic acid. Besides this, it is also called 2-Acetamido-5-pyridinecarboxylic acid. And the chemical formula of this chemical is C8H8N2O3.
Physical properties of 3-Pyridinecarboxylicacid, 6-(acetylamino)-: (1)ACD/LogP: 0.43; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 59.5 Å2; (11)Index of Refraction: 1.628; (12)Molar Refractivity: 45.54 cm3; (13)Molar Volume: 128.2 cm3; (14)Polarizability: 18.05×10-24cm3; (15)Surface Tension: 67.2 dyne/cm; (16)Density: 1.404 g/cm3; (17)Flash Point: 246.5 °C; (18)Enthalpy of Vaporization: 78.92 kJ/mol; (19)Boiling Point: 484 °C at 760 mmHg; (20)Vapour Pressure: 3.52E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ncc(cc1)C(=O)O)C
(2)InChI: InChI=1/C8H8N2O3/c1-5(11)10-7-3-2-6(4-9-7)8(12)13/h2-4H,1H3,(H,12,13)(H,9,10,11)
(3)InChIKey: RXSLHYTZMIUANX-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C8H8N2O3/c1-5(11)10-7-3-2-6(4-9-7)8(12)13/h2-4H,1H3,(H,12,13)(H,9,10,11)
(5)Std. InChIKey: RXSLHYTZMIUANX-UHFFFAOYSA-N