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874291-01-7

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Basic Information
CAS No.: 874291-01-7
Name: 1-PROPYL-3-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]UREA
Molecular Structure:
Molecular Structure of 874291-01-7 (1-PROPYL-3-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]UREA)
Formula: C16H25BN2O3
Molecular Weight: 304.19
Synonyms: 1-PROPYL-3-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]UREA;4-(3-PROPYLUREIDO)PHENYLBORONIC ACID, PINACOL ESTER;4-(3-Propylureido)benzeneboronic acid, pinacol ester;4-[(Propylcarbamoyl)amino]benzeneboronic acid, pinacol ester;4-[(Propylcarbamoyl)amino]benzeneboronic acid, pinacol ester 98%;4-(3-n-Propylureido)benzeneboronic acid pinacol ester, 98%;urea,N-propyl-N(4-4,4,5,5-tetraMethy(1,3,2-dioxabor0lan-2-yl)phenyl
Density: 1.07 g/cm3
Melting Point: 225-228℃
Boiling Point: 406.3 °C at 760 mmHg
Flash Point: 199.5 °C
Hazard Symbols: IrritantXi
PSA: 59.59000
LogP: 2.98120
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Specification

The Urea,N-propyl-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-propyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea. With the CAS registry number 874291-01-7, it is also named as 4-(3-Propylureido)benzeneboronic acid, pinacol ester. The product's categories are Blocks; BoronicAcids.

Physical properties about Urea,N-propyl-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: 1.517; (6)Molar Refractivity: 85.39 cm3; (7)Molar Volume: 282.2 cm3; (8)Polarizability: 33.85×10-24cm3; (9)Surface Tension: 38.2 dyne/cm; (10)Density: 1.07 g/cm3; (11)Flash Point: 199.5 °C; (12)Enthalpy of Vaporization: 65.8 kJ/mol; (13)Boiling Point: 406.3 °C at 760 mmHg; (14)Vapour Pressure: 8.25E-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)NCCC
(2)InChI: InChI=1/C16H25BN2O3/c1-6-11-18-14(20)19-13-9-7-12(8-10-13)17-21-15(2,3)16(4,5)22-17/h7-10H,6,11H2,1-5H3,(H2,18,19,20)
(3)InChIKey: JSBXBESTMBFPFH-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C16H25BN2O3/c1-6-11-18-14(20)19-13-9-7-12(8-10-13)17-21-15(2,3)16(4,5)22-17/h7-10H,6,11H2,1-5H3,(H2,18,19,20)
(5)Std. InChIKey: JSBXBESTMBFPFH-UHFFFAOYSA-N