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CAS No.: | 863578-36-3 |
---|---|
Name: | 2-AMINO-4-METHYLPHENYLBORONIC ACID, PINACOL ESTER |
Article Data: | 8 |
Molecular Structure: | |
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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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