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CAS No.: | 874297-78-6 |
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Name: | 4-[(TERT-BUTYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 98%4-(3-TERT-BUTYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER |
Molecular Structure: | |
Formula: | C17H27BN2O3 |
Molecular Weight: | 336.23416 |
Synonyms: | 4-[(TERT-BUTYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 98%4-(3-TERT-BUTYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER;1-TERT-BUTYL-3-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]UREA;4-(3-T-BUTYLLUREIDO)PHENYLBORONIC ACID, PINACOL ESTER;4-(3-TERT-BUTYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER;4-[(TERT-BUTYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER;4-[(tert-Butylcarbamoyl)amino]benzeneboronic acid, pinacol ester 98% |
Density: | 1.06 g/cm3 |
Melting Point: | 220-222 °C |
Boiling Point: | 410.4 °C at 760 mmHg |
Flash Point: | 202 °C |
Hazard Symbols: | Xi |
PSA: | 59.59000 |
LogP: | 3.36970 |
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The Urea,N-(1,1-dimethylethyl)-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-tert-butyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea. With the CAS registry number 874297-78-6, it is also named as 4-(3-tert-Butylureido)benzeneboronic acid, pinacol ester. The product's categories are Blocks; BoronicAcids.
Physical properties about Urea,N-(1,1-dimethylethyl)-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: 1.514; (6)Molar Refractivity: 90.03 cm3; (7)Molar Volume: 298.8 cm3; (8)Polarizability: 35.69×10-24cm3; (9)Surface Tension: 37.2 dyne/cm; (10)Density: 1.06 g/cm3; (11)Flash Point: 202 °C; (12)Enthalpy of Vaporization: 66.28 kJ/mol; (13)Boiling Point: 410.4 °C at 760 mmHg; (14)Vapour Pressure: 6.03E-07 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)C
(2)InChI: InChI=1/C17H27BN2O3/c1-15(2,3)20-14(21)19-13-10-8-12(9-11-13)18-22-16(4,5)17(6,7)23-18/h8-11H,1-7H3,(H2,19,20,21)
(3)InChIKey: BZMCBGPLSXEWGG-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C17H27BN2O3/c1-15(2,3)20-14(21)19-13-10-8-12(9-11-13)18-22-16(4,5)17(6,7)23-18/h8-11H,1-7H3,(H2,19,20,21)
(5)Std. InChIKey: BZMCBGPLSXEWGG-UHFFFAOYSA-N