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| CAS No.: | 852228-08-1 |
|---|---|
| Name: | 2-(PIPERIDIN-1-YL)PYRIDINE-5-BORONIC ACID PINACOL ESTER |
| Molecular Structure: | |
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| Formula: | C16H25BN2O2 |
| Molecular Weight: | 288.19 |
| Synonyms: | 2-Piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-Piperidin-1-ylpyridine-5-boronic acid pinacol ester;6-(Piperidin-1-yl)pyridine-3-boronic acid pinacol ester;1-[5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperidine; |
| Density: | 1.07 g/cm3 |
| Melting Point: | 110-114 °C |
| Boiling Point: | 427.8 °C at 760 mmHg |
| Flash Point: | 212.5 °C |
| PSA: | 34.59000 |
| LogP: | 2.43610 |
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- Total:36 Page 1 of 1 1
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Specification
The Pyridine,2-(1-piperidinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, with the CAS registry number 852228-08-1, is also known as 2-Piperidin-1-ylpyridine-5-boronic acid pinacol ester. It belongs to the product categories of Amino; Organoborons; Pyridine. This chemical's molecular formula is C16H25BN2O2 and molecular weight is 288.19. What's more, its systematic name is 2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.
Physical properties of Pyridine,2-(1-piperidinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- are: (1)#H bond acceptors: 4; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 34.59 Å2; (5)Index of Refraction: 1.528; (6)Molar Refractivity: 82.24 cm3; (7)Molar Volume: 266.8 cm3; (8)Polarizability: 32.6×10-24cm3; (9)Surface Tension: 40.4 dyne/cm; (10)Density: 1.07 g/cm3; (11)Flash Point: 212.5 °C; (12)Enthalpy of Vaporization: 68.29 kJ/mol; (13)Boiling Point: 427.8 °C at 760 mmHg; (14)Vapour Pressure: 1.59E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)N3CCCCC3
(2)InChI: InChI=1S/C16H25BN2O2/c1-15(2)16(3,4)21-17(20-15)13-8-9-14(18-12-13)19-10-6-5-7-11-19/h8-9,12H,5-7,10-11H2,1-4H3
(3)InChIKey: MLJZIQHWAUYAPA-UHFFFAOYSA-N