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| CAS No.: | 851524-96-4 |
|---|---|
| Name: | (6-AMINOPYRIDIN-3-YL)BORONIC ACID |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C5H7BN2O2 |
| Molecular Weight: | 137.934 |
| Synonyms: | 6-Aminopyridin-3-yl)boronic acid;6-Aminopyridine-3-boronicacid; |
| EINECS: | 256-495-9 |
| Density: | 1.334 g/cm3 |
| Boiling Point: | 388.271 °C at 760 mmHg |
| Flash Point: | 188.62 °C |
| PSA: | 79.37000 |
| LogP: | -1.07520 |
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Specification
The CAS registry number of 6-Aminopyridine-3-boronic acid is 851524-96-4. This chemical is also named as Boronic acid, B-(6-amino-3-pyridinyl)-. In addition, its molecular formula is C5H7BN2O2 and molecular weight is 137.9323. Its systematic name is called (6-aminopyridin-3-yl)boronic acid.
Physical properties about this chemical are: (1)ACD/LogP: -0.41; (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): 9; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.586; (11)Molar Refractivity: 34.705 cm3; (12)Molar Volume: 103.413 cm3; (13)Surface Tension: 66.409 dyne/cm; (14)Density: 1.334 g/cm3; (15)Flash Point: 188.62 °C; (16)Enthalpy of Vaporization: 67.234 kJ/mol; (17)Boiling Point: 388.271 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c1cnc(N)cc1
(2)InChI: InChI=1/C5H7BN2O2/c7-5-2-1-4(3-8-5)6(9)10/h1-3,9-10H,(H2,7,8)
(3)InChIKey: NPJBPJIQMCHZLJ-UHFFFAOYAZ