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1-Methyl-1,2,3,6-tetrahydropyridine-4-boronic acid pinacol ester (454482-11-2)

Identification
Name:1-Methyl-1,2,3,6-tetrahydropyridine-4-boronic acid pinacol ester
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
CAS:454482-11-2
Molecular Formula: C12H22BNO2
Molecular Weight: 223.12
InChI: InChI=1/C12H24BNO2/c1-11(2)12(3,4)16-13(15-11)10-6-8-14(5)9-7-10/h10H,6-9H2,1-5H3
Molecular Structure: (C12H22BNO2) 1-METHYL-1,2,3,6-TETRAHYDROPYRIDINE-4-BORONIC ACID PINACOL ESTER;4,4,5,5-tetramethyl-2-(1-methyl-3,5...
Properties
Flash Point: 109.1°C
Boiling Point: 256.7°C at 760 mmHg
Density:0.97g/cm3
Refractive index:1.467
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

Flash Point: 109.1°C
Safety Data
 

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