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874291-02-8

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Basic Information
CAS No.: 874291-02-8
Name: 4-[(ISOPROPYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 98%4-(3-ISOPROPYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER
Article Data: 2
Molecular Structure:
Molecular Structure of 874291-02-8 (4-[(ISOPROPYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 98%4-(3-ISOPROPYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER)
Formula: C16H25BN2O3
Molecular Weight: 304.197
Synonyms: 4-[(ISOPROPYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 98%4-(3-ISOPROPYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER;4-[(ISOPROPYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER;4-(3-ISOPROPYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER;4-(3-ISOPROPYLUREIDO)PHENYLBORONIC ACID, PINACOL ESTER;1-ISOPROPYL-3-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]UREA;4-[(Isopropylcarbamoyl)amino]benzeneboronic acid, pinacol ester 98%;urea,N-(1-Methylethy)-N-(4-(4,4,5,5,-TetraMethyl-1,3,2-dioxaborolan-2-yl)pheny)
Density: 1.07 g/cm3
Melting Point: 234-236 °C
Boiling Point: 401.3 °C at 760 mmHg
Flash Point: 196.5 °C
Hazard Symbols: IrritantXi
PSA: 59.59000
LogP: 2.97960
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Specification

The Urea,N-(1-methylethyl)-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- is an organic compound with the formula C16H25BN2O3. The systematic name of this chemical is 1-isopropyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea. With the CAS registry number 874291-02-8, it is also named as 4-(3-Isopropylureido)benzeneboronic acid, pinacol ester. The product's categories are Blocks; BoronicAcids.

Physical properties about Urea,N-(1-methylethyl)-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: 3; (4)Polar Surface Area: 59.59 Å2; (5)Index of Refraction: 1.515; (6)Molar Refractivity: 85.36 cm3; (7)Molar Volume: 282.8 cm3; (8)Polarizability: 33.84×10-24cm3; (9)Surface Tension: 37.5 dyne/cm; (10)Density: 1.07 g/cm3; (11)Flash Point: 196.5 °C; (12)Enthalpy of Vaporization: 65.23 kJ/mol; (13)Boiling Point: 401.3 °C at 760 mmHg; (14)Vapour Pressure: 1.19E-06 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)NC(C)C
(2)InChI: InChI=1/C16H25BN2O3/c1-11(2)18-14(20)19-13-9-7-12(8-10-13)17-21-15(3,4)16(5,6)22-17/h7-11H,1-6H3,(H2,18,19,20)
(3)InChIKey: GMMSXWMQBQDLFH-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C16H25BN2O3/c1-11(2)18-14(20)19-13-9-7-12(8-10-13)17-21-15(3,4)16(5,6)22-17/h7-11H,1-6H3,(H2,18,19,20)
(5)Std. InChIKey: GMMSXWMQBQDLFH-UHFFFAOYSA-N