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863578-36-3

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Basic Information
CAS No.: 863578-36-3
Name: 2-AMINO-4-METHYLPHENYLBORONIC ACID, PINACOL ESTER
Article Data: 8
Molecular Structure:
Molecular Structure of 863578-36-3 (2-AMINO-4-METHYLPHENYLBORONIC ACID, PINACOL ESTER)
Formula: C13H20BNO2
Molecular Weight: 233.118
Synonyms: 5-Methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-Amino-4-methylphenylboronic acid pinacol ester;2-Amino-4-methylphenylboronic acid, pinacol ester;
Density: 1.03 g/cm3
Melting Point: 68 °C(Solv: hexane (110-54-3))
Boiling Point: 347.2 °C at 760 mmHg
Flash Point: 163.8 °C
Hazard Symbols: Xn
Risk Codes: 22
PSA: 44.48000
LogP: 2.45760
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Specification

The Benzenamine,5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, with the CAS registry number 863578-36-3, is also known as 2-Amino-4-methylphenylboronic acid pinacol ester. This chemical's molecular formula is C13H20BNO2 and molecular weight is 233.11. What's more, its IUPAC name is 5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline. 

Physical properties of Benzenamine,5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- are: (1)#H bond acceptors: 3; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 44.48 Å2; (5)Index of Refraction: 1.515; (6)Molar Refractivity: 67.69 cm3; (7)Molar Volume: 224.4 cm3; (8)Polarizability: 26.83×10-24cm3; (9)Surface Tension: 35.5 dyne/cm; (10)Density: 1.03 g/cm3; (11)Flash Point: 163.8 °C; (12)Enthalpy of Vaporization: 59.14 kJ/mol; (13)Boiling Point: 347.2 °C at 760 mmHg; (14)Vapour Pressure: 5.47E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)C)N
(2)InChI: InChI=1S/C13H20BNO2/c1-9-6-7-10(11(15)8-9)14-16-12(2,3)13(4,5)17-14/h6-8H,15H2,1-5H3
(3)InChIKey: PEXRISJTWBBZRY-UHFFFAOYSA-N