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683229-61-0

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Basic Information
CAS No.: 683229-61-0
Name: 1-METHYL-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDOLE
Article Data: 30
Molecular Structure:
Molecular Structure of 683229-61-0 (1-METHYL-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDOLE)
Formula: C15H20BNO2
Molecular Weight: 257.14
Synonyms: N-Methylindole-3-boronic acid pinacol ester;
Density: 1.055 g/cm3
Boiling Point: 391.324 °C at 760 mmHg
Flash Point: 190.466 °C
PSA: 23.39000
LogP: 2.47750
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Specification

The 1-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole, with the CAS registry number 683229-61-0, is also known as N-Methylindole-3-boronic acid pinacol ester. This chemical's molecular formula is C15H20BNO2 and molecular weight is 257.14. What's more, its systematic name is 1-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole.

Physical properties of 1-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole are: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 23.39 Å2; (5)Index of Refraction: 1.533; (6)Molar Refractivity: 75.735 cm3; (7)Molar Volume: 243.69 cm3; (8)Polarizability: 30.024×10-24cm3; (9)Surface Tension: 33.5 dyne/cm; (10)Density: 1.055 g/cm3; (11)Flash Point: 190.466 °C; (12)Enthalpy of Vaporization: 61.588 kJ/mol; (13)Boiling Point: 391.324 °C at 760 mmHg; (14)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1(C)OB(OC1(C)C)c3cn(C)c2ccccc23
(2)Std. InChI: InChI=1S/C15H20BNO2/c1-14(2)15(3,4)19-16(18-14)12-10-17(5)13-9-7-6-8-11(12)13/h6-10H,1-5H3
(3)Std. InChIKey: MCCCOWZSGBKRCG-UHFFFAOYSA-N