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Basic Information
CAS No.: 944401-58-5
Name: 2-AMINO-4-TRIFLUOROPYRIMIDINE-5-BORONIC ACID PINACOL ESTER
Molecular Structure:
Molecular Structure of 944401-58-5 (2-AMINO-4-TRIFLUOROPYRIMIDINE-5-BORONIC ACID PINACOL ESTER)
Formula: C11H15BF3N3O2
Molecular Weight: 289.065
Synonyms: [5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyrimidin-2-yl]amine;
Density: 1.28 g/cm3
Boiling Point: 403.837 °C at 760 mmHg
Flash Point: 198.034 °C
PSA: 70.26000
LogP: 1.95800
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Specification

The 2-Amino-4-trifluoromethylpyrimidine-5-boronic acid pinacol ester, with the CAS registry number 944401-58-5, is also known as 2-Pyrimidinamine, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-. This chemical's molecular formula is C11H15BF3N3O2 and molecular weight is 289.06. What's more, its systematic name is 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine.

Physical properties of 2-Amino-4-trifluoromethylpyrimidine-5-boronic acid pinacol ester are: (1)#H bond acceptors: 5; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 70.26 Å2; (5)Index of Refraction: 1.476; (6)Molar Refractivity: 63.662 cm3; (7)Molar Volume: 225.793 cm3; (8)Polarizability: 25.238×10-24cm3; (9)Surface Tension: 38.627 dyne/cm; (10)Density: 1.28 g/cm3; (11)Flash Point: 198.034 °C; (12)Enthalpy of Vaporization: 65.519 kJ/mol; (13)Boiling Point: 403.837 °C at 760 mmHg; (14)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B1(OC(C(O1)(C)C)(C)C)c2cnc(nc2C(F)(F)F)N
(2)Std. InChI: InChI=1S/C11H15BF3N3O2/c1-9(2)10(3,4)20-12(19-9)6-5-17-8(16)18-7(6)11(13,14)15/h5H,1-4H3,(H2,16,17,18)
(3)Std. InChIKey: FEVSQCNVVXXUBK-UHFFFAOYSA-N