Urea,N-[(4-methoxyphenyl)methyl]-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- supplier

Name
1-(4-METHOXYBENZYL)-3-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)UREA
EINECS
CAS No. 874298-21-2
Density 1.15 g/cm³
Solubility
Melting Point
Formula C₂₁H₂₇BN₂O₄
Boiling Point 515.2 °C at 760 mmHg
Molecular Weight 382.26
Flash Point 265.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
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%
PSA 68.82000
LogP 3.78000

Urea,N-[(4-methoxyphenyl)methyl]-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- 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

Product Name

1-(4-METHOXYBENZYL)-3-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)UREA

Urea,N-[(4-methoxyphenyl)methyl]-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- Specification

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