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874291-00-6

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Basic Information
CAS No.: 874291-00-6
Name: 4-[(ETHYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 98%4-(3-ETHYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER
Article Data: 4
Molecular Structure:
Molecular Structure of 874291-00-6 (4-[(ETHYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 98%4-(3-ETHYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER)
Formula: C15H23BN2O3
Molecular Weight: 290.17
Synonyms: 4-[(ETHYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 98%4-(3-ETHYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER;4-[(ETHYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER;4-(3-ETHYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER;4-(3-ETHYLUREIDO)PHENYLBORONIC ACID, PINACOL ESTER;1-ETHYL-3-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]UREA;4-[(Ethylcarbamoyl)amino]benzeneboronic acid, pinacol ester 98%;4-[(ETHYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 98%4-(3-ETHYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER
EINECS: 200-589-5
Density: 1.09 g/cm3
Melting Point: 194-196
Boiling Point: 392.4 °C at 760 mmHg
Flash Point: 191.1 °C
Hazard Symbols: IrritantXi
PSA: 59.59000
LogP: 2.59110
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Specification

The Urea,N-ethyl-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- is an organic compound with the formula C15H23BN2O3. The systematic name of this chemical is 1-ethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea. With the CAS registry number 874291-00-6, it is also named as 3-ethyl-1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea. The product's categories are Blocks; BoronicAcids.

Physical properties about Urea,N-ethyl-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: 1.519; (6)Molar Refractivity: 80.76 cm3; (7)Molar Volume: 265.9 cm3; (8)Polarizability: 32.01×10-24cm3; (9)Surface Tension: 38.3 dyne/cm; (10)Density: 1.09 g/cm3; (11)Flash Point: 191.1 °C; (12)Enthalpy of Vaporization: 64.21 kJ/mol; (13)Boiling Point: 392.4 °C at 760 mmHg; (14)Vapour Pressure: 2.3E-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)NCC
(2)InChI: InChI=1/C15H23BN2O3/c1-6-17-13(19)18-12-9-7-11(8-10-12)16-20-14(2,3)15(4,5)21-16/h7-10H,6H2,1-5H3,(H2,17,18,19)
(3)InChIKey: BYHDTZHNPIWVOP-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C15H23BN2O3/c1-6-17-13(19)18-12-9-7-11(8-10-12)16-20-14(2,3)15(4,5)21-16/h7-10H,6H2,1-5H3,(H2,17,18,19)
(5)Std. InChIKey: BYHDTZHNPIWVOP-UHFFFAOYSA-N