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874291-03-9

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Basic Information
CAS No.: 874291-03-9
Name: 1-ISOBUTYL-3-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)UREA
Molecular Structure:
Molecular Structure of 874291-03-9 (1-ISOBUTYL-3-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)UREA)
Formula: C17H27BN2O3
Molecular Weight: 318.22
Synonyms: 1-ISOBUTYL-3-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)UREA;4-(3-ISOBUTYLUREIDO)PHENYLBORONIC ACID, PINACOL ESTER;4-[(Isobutylcarbamoyl)amino]benzeneboronic acid, pinacol ester;4-[(Isobutylcarbamoyl)amino]benzeneboronic acid, pinacol ester 95%;4-(3-Isobutylureido)benzeneboronic acid pinacol ester, 95%
Density: 1.06 g/cm3
Boiling Point: 415.1 °C at 760 mmHg
Flash Point: 204.9 °C
Hazard Symbols: IrritantXi
PSA: 59.59000
LogP: 3.22720
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Specification

The Urea,N-(2-methylpropyl)-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- is an organic compound with the formula C17H27BN2O3. The systematic name of this chemical is 1-isobutyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea. With the CAS registry number 874291-03-9, it is also named as 4-(3-Isobutylureido)phenylboronic acid, pinacol ester. The product's categories are Blocks; BoronicAcids.

Physical properties about Urea,N-(2-methylpropyl)-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- are: (1)#H bond acceptors: 5; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 59.59 Å2; (5)Index of Refraction: 1.513; (6)Molar Refractivity: 90 cm3; (7)Molar Volume: 299 cm3; (8)Polarizability: 35.67×10-24cm3; (9)Surface Tension: 37.5 dyne/cm; (10)Density: 1.06 g/cm3; (11)Flash Point: 204.9 °C; (12)Enthalpy of Vaporization: 66.82 kJ/mol; (13)Boiling Point: 415.1 °C at 760 mmHg; (14)Vapour Pressure: 4.22E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2)NC(=O)NCC(C)C
(2)InChI: InChI=1/C17H27BN2O3/c1-12(2)11-19-15(21)20-14-9-7-13(8-10-14)18-22-16(3,4)17(5,6)23-18/h7-10,12H,11H2,1-6H3,(H2,19,20,21)
(3)InChIKey: CSTLSBXZBKRPIS-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C17H27BN2O3/c1-12(2)11-19-15(21)20-14-9-7-13(8-10-14)18-22-16(3,4)17(5,6)23-18/h7-10,12H,11H2,1-6H3,(H2,19,20,21)
(5)Std. InChIKey: CSTLSBXZBKRPIS-UHFFFAOYSA-N