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CAS No.: | 1006876-23-8 |
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Name: | 6-(Dimethylcarbamoyl)pyridin-3-ylboronic acid |
Molecular Structure: | |
Formula: | C8H11BN2O3 |
Molecular Weight: | 193.998 |
Density: | 1.27 g/cm3 |
Boiling Point: | 440.902 °C at 760 mmHg |
Flash Point: | 220.45 °C |
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The CAS registry number of 6-(Dimethylcarbamoyl)pyridin-3-ylboronic acid is 1006876-23-8. The molecular formula of it is C8H11BN2O3 and molecular weight is 193.9955. Its systematic name is called [6-(dimethylcarbamoyl)-3-pyridyl]boronic acid.
Physical properties about this chemical are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 2.623; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 5; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 4; (8)Index of Refraction: 1.554; (9)Molar Refractivity: 48.969 cm3; (10)Molar Volume: 152.738 cm3; (11)Surface Tension: 55.651 dyne/cm; (12)Density: 1.27 g/cm3; (13)Flash Point: 220.45 °C; (14)Enthalpy of Vaporization: 73.578 kJ/mol; (15)Boiling Point: 440.902 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(nc1)C(=O)N(C)C)(O)O
(2)InChI: InChI=1/C8H11BN2O3/c1-11(2)8(12)7-4-3-6(5-10-7)9(13)14/h3-5,13-14H,1-2H3
(3)InChIKey: HMQGEHKXJDINOL-UHFFFAOYAM