Urea,N-cyclopentyl-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- supplier

Name
1-CYCLOPENTYL-3-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]UREA
EINECS
CAS No. 874297-80-0
Article Data2
CAS DataBase
Density 1.11 g/cm³
Solubility
Melting Point
Formula C₁₈H₂₇BN₂O₃
Boiling Point 444.1 °C at 760 mmHg
Molecular Weight 330.23
Flash Point 222.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 4-(3-CYCLOPENTYLLUREIDO)PHENYLBORONIC ACID, PINACOL ESTER;1-CYCLOPENTYL-3-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]UREA;4-(3-Cyclopentylureido)benzeneboronic acid, pinacol ester;4-[(Cyclopentylcarbamoyl)amino]benzeneboronic acid, pinacol ester;4-[(Cyclopentylcarbamoyl)amino]benzeneboronic acid, pinacol ester 95%;4-(3-Cyclopentyllureido)phenylboronic acid,pinacol
PSA 59.59000
LogP 3.51380

Urea,N-cyclopentyl-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- Specification

The Urea,N-cyclopentyl-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- is an organic compound with the formula C₁₈H₂₇BN₂O₃. With the CAS registry number 874297-80-0, the systematic name of this chemical is 1-cyclopentyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea. The product's categories are Blocks; BoronicAcids.

Physical properties about Urea,N-cyclopentyl-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: 42.01 Å²; (5)Index of Refraction: 1.537; (6)Molar Refractivity: 92.59 cm³; (7)Molar Volume: 296.4 cm³; (8)Polarizability: 36.7×10^-24cm³; (9)Surface Tension: 41.1 dyne/cm; (10)Density: 1.11 g/cm³; (11)Flash Point: 222.4 °C; (12)Enthalpy of Vaporization: 70.19 kJ/mol; (13)Boiling Point: 444.1 °C at 760 mmHg; (14)Vapour Pressure: 4.38E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC1CCCC1)Nc3ccc(B2OC(C)(C)C(O2)(C)C)cc3
(2)InChI: InChI=1/C18H27BN2O3/c1-17(2)18(3,4)24-19(23-17)13-9-11-15(12-10-13)21-16(22)20-14-7-5-6-8-14/h9-12,14H,5-8H2,1-4H3,(H2,20,21,22)
(3)InChIKey: XIRYAWDMLJRGHR-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C18H27BN2O3/c1-17(2)18(3,4)24-19(23-17)13-9-11-15(12-10-13)21-16(22)20-14-7-5-6-8-14/h9-12,14H,5-8H2,1-4H3,(H2,20,21,22)
(5)Std. InChIKey: XIRYAWDMLJRGHR-UHFFFAOYSA-N

Product Name

1-CYCLOPENTYL-3-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]UREA

Urea,N-cyclopentyl-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- Specification

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