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6-(Benzylamino)pyridine-3-boronic acid pinacol ester

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Name

6-(Benzylamino)pyridine-3-boronic acid pinacol ester

EINECS N/A
CAS No. 1073354-27-4 Density 1.1 g/cm3
PSA 43.38000 LogP 3.06590
Solubility N/A Melting Point 135-138°C
Formula C18H23BN2O2 Boiling Point 446.8 °C at 760 mmHg
Molecular Weight 310.20 Flash Point 224 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1073354-27-4 (6-(Benzylamino)pyridine-3-boronic acid pinacol ester) Hazard Symbols N/A
Synonyms

N-Benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;2-(Benzylamino)pyridine-5-boronic acid pinacol ester;

 

6-(Benzylamino)pyridine-3-boronic acid pinacol ester Specification

The CAS registry number of 2-Pyridinamine, N-(phenylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- is 1073354-27-4. The systematic name is N-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine. In addition, the molecular formula is C18H23BN2O2 and the molecular weight is 310.20. What's more, it should be stored in a cool and dry place.

Physical properties about 2-Pyridinamine, N-(phenylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- are: (1)#H bond acceptors: 4; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 43.38 Å2; (5)Index of Refraction: 1.555; (6)Molar Refractivity: 90.24 cm3; (7)Molar Volume: 281 cm3; (8)Polarizability: 35.77 ×10-24cm3; (9)Surface Tension: 42.5 dyne/cm; (10)Density: 1.1 g/cm3; (11)Flash Point: 224 °C; (12)Enthalpy of Vaporization: 70.5 kJ/mol; (13)Boiling Point: 446.8 °C at 760 mmHg; (14)Vapour Pressure: 3.55E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1(C)OB(OC1(C)C)c3ccc(NCc2ccccc2)nc3
(2)InChI: InChI=1/C18H23BN2O2/c1-17(2)18(3,4)23-19(22-17)15-10-11-16(21-13-15)20-12-14-8-6-5-7-9-14/h5-11,13H,12H2,1-4H3,(H,20,21)
(3)InChIKey: BWIHFPRFKBKWMU-UHFFFAOYAQ

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