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454482-11-2

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Basic Information
CAS No.: 454482-11-2
Name: 1-Methyl-1,2,3,6-tetrahydropyridine-4-boronic acid pinacol ester
Article Data: 6
Molecular Structure:
Molecular Structure of 454482-11-2 (1-Methyl-1,2,3,6-tetrahydropyridine-4-boronic acid pinacol ester)
Formula: C12H22BNO2
Molecular Weight: 223.123
Synonyms: 1-METHYL-1,2,3,6-TETRAHYDROPYRIDINE-4-BORONIC ACID PINACOL ESTER;4,4,5,5-tetramethyl-2-(1-methyl-3,5-dihydro-2H-pyrid-4-yl)-1,3,2-dioxaborolane;1-Methyl-1,2,3,6-tetrahydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;1-Methyl-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine;1-Methyl-4-(tetraMethyl-1,3,2-dioxaborolan-2-yl)piperidine;Pyridine, 1,2,3,6-tetrahydro-1-Methyl-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-;1-Methyl-1,2,3,6-tetrahydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine, 2-(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1-Methyl-1,2,3,6-tetrahydropyridine-4-boronic acid pinacol ester 97%
Density: 0.97g/cm3
Boiling Point: 252.5 °C at 760 mmHg
Flash Point: 106.5 °C
PSA: 21.70000
LogP: 1.81760
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Specification

The 1-Methyl-1,2,3,6-tetrahydropyridine-4-boronic acid pinacol ester with its cas register number is 454482-11-2. The Systematic name about this chemical is 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine.

Physical properties about 1-Methyl-1,2,3,6-tetrahydropyridine-4-boronic acid pinacol ester are: (1)#H bond acceptors: 3; (2)#Freely Rotating Bonds: 1; (3)Polar Surface Area: 21.7Å2; (4)Index of Refraction: 1.482; (5)Molar Refractivity: 64.05 cm3; (6)Molar Volume: 224.3 cm3; (7)Polarizability: 25.39x10-24cm3; (8)Surface Tension: 30.9 dyne/cm; (9)Enthalpy of Vaporization: 48.98 kJ/mol; (10)Vapour Pressure: 0.0193 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1(C)OB(OC1(C)C)C=2CCN(C)CC=2
(2)InChI: InChI=1/C12H22BNO2/c1-11(2)12(3,4)16-13(15-11)10-6-8-14(5)9-7-10/h6H,7-9H2,1-5H3
(3)InChIKey: SQMVRFXDBRYXFQ-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C12H22BNO2/c1-11(2)12(3,4)16-13(15-11)10-6-8-14(5)9-7-10/h6H,7-9H2,1-5H3
(5)Std. InChIKey: SQMVRFXDBRYXFQ-UHFFFAOYSA-N