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874290-97-8

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Basic Information
CAS No.: 874290-97-8
Name: 4-(MORPHOLINYLCARBONYLAMINO)PHENYLBORONIC ACID, PINACOL ESTER
Article Data: 2
Molecular Structure:
Molecular Structure of 874290-97-8 (4-(MORPHOLINYLCARBONYLAMINO)PHENYLBORONIC ACID, PINACOL ESTER)
Formula: C17H25BN2O4
Molecular Weight: 332.207
Synonyms: N-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine-4-carboxamide;
Density: 1.16g/cm3
Melting Point: 248-250 °C
Boiling Point: 518.8 °C at 760 mmHg
Flash Point: 267.6 °C
Hazard Symbols: IrritantXi
PSA: 60.03000
LogP: 1.86080
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Specification

The 4-Morpholinecarboxamide,N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- is an organic compound with the formula C17H25BN2O4. The systematic name of this chemical is N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine-4-carboxamide. With the CAS registry number 874290-97-8, it is also named as 4-[(Morpholin-4-ylcarbonyl)amino]benzeneboronic acid, pinacol ester. The product's categories are Blocks; BoronicAcids.

Physical properties about 4-Morpholinecarboxamide,N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- are: (1)#H bond acceptors: 6; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 60.03 Å2; (5)Index of Refraction: 1.544; (6)Molar Refractivity: 89.95 cm3; (7)Molar Volume: 284.5 cm3; (8)Polarizability: 35.66×10-24cm3; (9)Surface Tension: 43.5 dyne/cm; (10)Density: 1.16 g/cm3; (11)Flash Point: 267.6 °C; (12)Enthalpy of Vaporization: 79.15 kJ/mol; (13)Boiling Point: 518.8 °C at 760 mmHg; (14)Vapour Pressure: 7.21E-11 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)N3CCOCC3
(2)InChI: InChI=1/C17H25BN2O4/c1-16(2)17(3,4)24-18(23-16)13-5-7-14(8-6-13)19-15(21)20-9-11-22-12-10-20/h5-8H,9-12H2,1-4H3,(H,19,21)
(3)InChIKey: NPVFWSDIINWNDP-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C17H25BN2O4/c1-16(2)17(3,4)24-18(23-16)13-5-7-14(8-6-13)19-15(21)20-9-11-22-12-10-20/h5-8H,9-12H2,1-4H3,(H,19,21)
(5)Std. InChIKey: NPVFWSDIINWNDP-UHFFFAOYSA-N