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1048976-83-5

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Basic Information
CAS No.: 1048976-83-5
Name: 1-Benzyl-1,2,3,6-tetrahydropyridine-4-boronic acid pinacol ester
Article Data: 4
Molecular Structure:
Molecular Structure of 1048976-83-5 (1-Benzyl-1,2,3,6-tetrahydropyridine-4-boronic acid pinacol ester)
Formula: C18H26BNO2
Molecular Weight: 299.221
Synonyms: 1,2,3,6-Tetrahydro-1-(phenylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;
Density: 1.054 g/cm3
Boiling Point: 357.709 °C at 760 mmHg
Flash Point: 170.137 °C
PSA: 21.70000
LogP: 3.38800
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Specification

The 1-Benzyl-1,2,3,6-tetrahydropyridine-4-boronic acid pinacol ester, with the CAS registry number 1048976-83-5, is also known as 1,2,3,6-Tetrahydro-1-(phenylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine. This chemical's molecular formula is C18H26BNO2 and molecular weight is 299.22. What's more, its systematic name is 1-Benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine. 

Physical properties of 1-Benzyl-1,2,3,6-tetrahydropyridine-4-boronic acid pinacol ester are: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 21.7 Å2; (5)Index of Refraction: 1.538; (6)Molar Refractivity: 88.766 cm3; (7)Molar Volume: 283.841 cm3; (8)Polarizability: 35.189×10-24cm3; (9)Surface Tension: 37.6 dyne/cm; (10)Density: 1.054 g/cm3; (11)Flash Point: 170.137 °C; (12)Enthalpy of Vaporization: 60.311 kJ/mol; (13)Boiling Point: 357.709 °C at 760 mmHg; (14)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CCN(CC2)Cc3ccccc3
(2)Std. InChI: InChI=1S/C18H26BNO2/c1-17(2)18(3,4)22-19(21-17)16-10-12-20(13-11-16)14-15-8-6-5-7-9-15/h5-10H,11-14H2,1-4H3
(3)Std. InChIKey: SBZWAVVCJBBNSM-UHFFFAOYSA-N