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874298-21-2

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Basic Information
CAS No.: 874298-21-2
Name: 1-(4-METHOXYBENZYL)-3-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)UREA
Molecular Structure:
Molecular Structure of 874298-21-2 (1-(4-METHOXYBENZYL)-3-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)UREA)
Formula: C21H27BN2O4
Molecular Weight: 382.26
Synonyms: 4-(3-(4-METHOXYBENZYL)UREIDO)PHENYLBORONIC ACID, PINACOL ESTER;1-(4-METHOXYBENZYL)-3-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)UREA;4-{[(4-Methoxybenzyl)carbamoyl]amino}benzeneboronic acid, pinacol ester;4-{[(4-Methoxybenzyl)carbamoyl]amino}benzeneboronic acid, pinacol ester 98%;4-[3-(4-Methoxybenzyl)ureido]benzeneboronic acid pinacol ester, 98%
Density: 1.15 g/cm3
Boiling Point: 515.2 °C at 760 mmHg
Flash Point: 265.4 °C
Hazard Symbols: IrritantXi
PSA: 68.82000
LogP: 3.78000
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Specification

The Urea,N-[(4-methoxyphenyl)methyl]-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- is an organic compound with the formula C21H27BN2O4. The systematic name of this chemical is 1-[(4-methoxyphenyl)methyl]-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea. With the CAS registry number 874298-21-2, it is also named as 4-(3-(4-Methoxybenzyl)ureido)phenylboronic acid, pinacol ester. The product's categories are Blocks; BoronicAcids.

Physical properties about Urea,N-[(4-methoxyphenyl)methyl]-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- are: (1)#H bond acceptors: 6; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 68.82 Å2; (5)Index of Refraction: 1.562; (6)Molar Refractivity: 107.21 cm3; (7)Molar Volume: 330.5 cm3; (8)Polarizability: 42.5×10-24cm3; (9)Surface Tension: 44.6 dyne/cm; (10)Density: 1.15 g/cm3; (11)Flash Point: 265.4 °C; (12)Enthalpy of Vaporization: 78.7 kJ/mol; (13)Boiling Point: 515.2 °C at 760 mmHg; (14)Vapour Pressure: 1.01E-10 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)NCc3ccc(cc3)OC
(2)InChI: InChI=1/C21H27BN2O4/c1-20(2)21(3,4)28-22(27-20)16-8-10-17(11-9-16)24-19(25)23-14-15-6-12-18(26-5)13-7-15/h6-13H,14H2,1-5H3,(H2,23,24,25)
(3)InChIKey: OKFBGKHVFVDLEJ-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C21H27BN2O4/c1-20(2)21(3,4)28-22(27-20)16-8-10-17(11-9-16)24-19(25)23-14-15-6-12-18(26-5)13-7-15/h6-13H,14H2,1-5H3,(H2,23,24,25)
(5)Std. InChIKey: OKFBGKHVFVDLEJ-UHFFFAOYSA-N