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874290-99-0

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Basic Information
CAS No.: 874290-99-0
Name: 4-[(METHYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 95%4-(3-METHYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER
Article Data: 7
Molecular Structure:
Molecular Structure of 874290-99-0 (4-[(METHYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 95%4-(3-METHYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER)
Formula: C14H21BN2O3
Molecular Weight: 276.143
Synonyms: 1-Methyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea;
Density: 1.1 g/cm3
Melting Point: 183-187 °C
Boiling Point: 378.3 °C at 760 mmHg
Flash Point: 182.6 °C
Hazard Symbols: IrritantXi
PSA: 59.59000
LogP: 2.20100
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Specification

The Urea,N-methyl-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- is an organic compound with the formula C14H21BN2O3. The systematic name of this chemical is 1-methyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea. With the CAS registry number 874290-99-0, it is also named as 4-(3-Methylureido)benzeneboronic acid, pinacol ester. The product's categories are Blocks; BoronicAcids.

Physical properties about Urea,N-methyl-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: 2; (4)Polar Surface Area: 59.59 Å2; (5)Index of Refraction: 1.521; (6)Molar Refractivity: 76.13 cm3; (7)Molar Volume: 249.7 cm3; (8)Polarizability: 30.18×10-24cm3; (9)Surface Tension: 38.4 dyne/cm; (10)Density: 1.1 g/cm3; (11)Flash Point: 182.6 °C; (12)Enthalpy of Vaporization: 62.62 kJ/mol; (13)Boiling Point: 378.3 °C at 760 mmHg; (14)Vapour Pressure: 6.35E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1(C)OB(OC1(C)C)c2ccc(NC(=O)NC)cc2
(2)InChI: InChI=1/C14H21BN2O3/c1-13(2)14(3,4)20-15(19-13)10-6-8-11(9-7-10)17-12(18)16-5/h6-9H,1-5H3,(H2,16,17,18)
(3)InChIKey: MRHQTDZUJNAZGQ-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C14H21BN2O3/c1-13(2)14(3,4)20-15(19-13)10-6-8-11(9-7-10)17-12(18)16-5/h6-9H,1-5H3,(H2,16,17,18)
(5)Std. InChIKey: MRHQTDZUJNAZGQ-UHFFFAOYSA-N