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

Name
4-[(BENZYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 98%4-(3-BENZYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER
EINECS
CAS No. 874290-98-9
Density 1.14 g/cm³
Solubility
Melting Point 204-207 °C
Formula C₂₀H₂₅BN₂O₃
Boiling Point 483.7 °C at 760 mmHg
Molecular Weight 352.24
Flash Point 246.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 4-[(BENZYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER;4-(3-BENZYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER;4-(3-BENZYLUREIDO)PHENYLBORONIC ACID, PINACOL ESTER;1-BENZYL-3-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]UREA;4-[(BENZYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 98%4-(3-BENZYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER;4-[(Benzylcarbamoyl)amino]benzeneboronic acid, pinacol ester 98%
PSA 59.59000
LogP 3.77140

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

The Urea,N-(phenylmethyl)-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- is an organic compound with the formula C₂₀H₂₅BN₂O₃. The systematic name of this chemical is 1-benzyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea. With the CAS registry number 874290-98-9, it is also named as 4-(3-Benzylureido)benzeneboronic acid, pinacol ester. The product's categories are Blocks; BoronicAcids.

Physical properties about Urea,N-(phenylmethyl)-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: 1.566; (6)Molar Refractivity: 100.84 cm³; (7)Molar Volume: 308.8 cm³; (8)Polarizability: 39.97×10^-24cm³; (9)Surface Tension: 44 dyne/cm; (10)Density: 1.14 g/cm³; (11)Flash Point: 246.3 °C; (12)Enthalpy of Vaporization: 74.88 kJ/mol; (13)Boiling Point: 483.7 °C at 760 mmHg; (14)Vapour Pressure: 1.64E-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)NCc3ccccc3
(2)InChI: InChI=1/C20H25BN2O3/c1-19(2)20(3,4)26-21(25-19)16-10-12-17(13-11-16)23-18(24)22-14-15-8-6-5-7-9-15/h5-13H,14H2,1-4H3,(H2,22,23,24)
(3)InChIKey: CEICAHXVTFTLSN-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C20H25BN2O3/c1-19(2)20(3,4)26-21(25-19)16-10-12-17(13-11-16)23-18(24)22-14-15-8-6-5-7-9-15/h5-13H,14H2,1-4H3,(H2,22,23,24)
(5)Std. InChIKey: CEICAHXVTFTLSN-UHFFFAOYSA-N

Product Name

4-[(BENZYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 98%4-(3-BENZYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER

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

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