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

Name
4-[(DIETHYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 98%4-(3-DIETHYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER
EINECS
CAS No. 874290-94-5
Density 1.07 g/cm³
Solubility
Melting Point 184-186 °C
Formula C₁₇H₂₇BN₂O₃
Boiling Point 471.3 °C at 760 mmHg
Molecular Weight 318.224
Flash Point 238.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 1,1-DIETHYL-3-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]UREA;4-(3-DIETHYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER;4-(3-DIETHYLUREIDO)PHENYLBORONIC ACID, PINACOL ESTER;4-[(DIETHYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER;4-[(DIETHYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 98%4-(3-DIETHYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER;4-[(Diethylcarbamoyl)amino]benzeneboronic acid, pinacol ester 98%
PSA 50.80000
LogP 2.93250

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

The Urea,N,N-diethyl-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 1,1-diethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea. With the CAS registry number 874290-94-5, it is also named as 4-(3-Diethylureido)benzeneboronic acid, pinacol ester. The product's categories are Blocks; BoronicAcids.

Physical properties about Urea,N,N-diethyl-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- are: (1)#H bond acceptors: 5; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 50.8 Å²; (5)Index of Refraction: 1.519; (6)Molar Refractivity: 90.25 cm³; (7)Molar Volume: 297.2 cm³; (8)Polarizability: 35.77×10^-24cm³; (9)Surface Tension: 38.4 dyne/cm; (10)Density: 1.07 g/cm³; (11)Flash Point: 238.8 °C; (12)Enthalpy of Vaporization: 73.4 kJ/mol; (13)Boiling Point: 471.3 °C at 760 mmHg; (14)Vapour Pressure: 4.7E-09 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)N(CC)CC
(2)InChI: InChI=1/C17H27BN2O3/c1-7-20(8-2)15(21)19-14-11-9-13(10-12-14)18-22-16(3,4)17(5,6)23-18/h9-12H,7-8H2,1-6H3,(H,19,21)
(3)InChIKey: OEIVWKLPBDQFDR-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C17H27BN2O3/c1-7-20(8-2)15(21)19-14-11-9-13(10-12-14)18-22-16(3,4)17(5,6)23-18/h9-12H,7-8H2,1-6H3,(H,19,21)
(5)Std. InChIKey: OEIVWKLPBDQFDR-UHFFFAOYSA-N

Product Name

4-[(DIETHYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 98%4-(3-DIETHYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER

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

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