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CAS No.: | 1087160-40-4 |
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Name: | 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine |
Molecular Structure: | |
Formula: | C11H22BNO2 |
Molecular Weight: | 211.112 |
Synonyms: | (3R,4R)-3,4-Dimethyl-4-(3-hydroxyphenyl)piperidine |
Density: | 0.975 g/cm3 |
Boiling Point: | 256.375 °C at 760 mmHg |
Flash Point: | 108.852 °C |
Appearance: | Gray-white power |
PSA: | 30.49000 |
LogP: | 2.16100 |
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This chemical is called Piperidine-4-boronic acid pinacol ester, and its systematic name is 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine. With the molecular formula of C11H22BNO2, its molecular weight is 211.11. The CAS registry number of this chemical is 1087160-40-4.
Other characteristics of the Piperidine-4-boronic acid pinacol ester can be summarised as followings: (1)#H bond acceptors: 3; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 30.49 Å2; (5)Index of Refraction: 1.461; (6)Molar Refractivity: 59.487 cm3; (7)Molar Volume: 216.632 cm3; (8)Polarizability: 23.583×10-24cm3; (9)Surface Tension: 29.559 dyne/cm; (10)Density: 0.975 g/cm3; (11)Flash Point: 108.852 °C; (12)Enthalpy of Vaporization: 49.389 kJ/mol; (13)Boiling Point: 256.375 °C at 760 mmHg; (14)Vapour Pressure: 0.015 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: B1(OC(C(O1)(C)C)(C)C)C2CCNCC2
2.InChI: InChI=1/C11H22BNO2/c1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9/h9,13H,5-8H2,1-4H3
3.InChIKey: ITJOVDVQZDQJDF-UHFFFAOYAX