Product Name

  • Name

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

  • EINECS
  • CAS No. 874297-79-7
  • Density 1.14 g/cm3
  • Solubility
  • Melting Point 227-229 °C
  • Formula C16H23BN2O3
  • Boiling Point 414.8 °C at 760 mmHg
  • Molecular Weight 302.181
  • Flash Point 204.7 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 874297-79-7 (1-CYCLOPROPYL-3-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]UREA)
  • Hazard Symbols IrritantXi
  • Synonyms 1-CYCLOPROPYL-3-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]UREA;4-(3-CYCLOPROPYLUREIDO)PHENYLBORONIC ACID, PINACOL ESTER;4-(3-Cyclopropylureido)benzeneboronic acid, pinacol ester;4-[(Cyclopropylcarbamoyl)amino]benzeneboronic acid, pinacol ester;4-[(Cyclopropylcarbamoyl)amino]benzeneboronic acid, pinacol ester 97%;4-(3-Cyclopropylureido)phenylboronic acid,pinacol;Urea, N-cyclopropyl-N-[4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
  • PSA 59.59000
  • LogP 2.73360

4-[(Cyclopropylcarbamoyl)amino]benzeneboronic acid, pinacol ester Specification

The 4-[(Cyclopropylcarbamoyl)amino]benzeneboronic acid, pinacol ester is an organic compound with the formula C16H23BN2O3. The systematic name of this chemical is 1-cyclopropyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea. With the CAS registry number 874297-79-7, it is also named as 4-(3-Cyclopropylureido)benzeneboronic acid, pinacol ester. The product's categories are Blocks; BoronicAcids.

Physical properties about 4-[(Cyclopropylcarbamoyl)amino]benzeneboronic acid, pinacol ester 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: 1.543; (6)Molar Refractivity: 83.33 cm3; (7)Molar Volume: 264 cm3; (8)Polarizability: 33.03×10-24cm3; (9)Surface Tension: 41.5 dyne/cm; (10)Density: 1.14 g/cm3; (11)Flash Point: 204.7 °C; (12)Enthalpy of Vaporization: 66.78 kJ/mol; (13)Boiling Point: 414.8 °C at 760 mmHg; (14)Vapour Pressure: 4.31E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)(1)SMILES: B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2)NC(=O)NC3CC3
(2)InChI: InChI=1/C16H23BN2O3/c1-15(2)16(3,4)22-17(21-15)11-5-7-12(8-6-11)18-14(20)19-13-9-10-13/h5-8,13H,9-10H2,1-4H3,(H2,18,19,20)
(3)InChIKey: TUHNHHNBHVOYFR-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C16H23BN2O3/c1-15(2)16(3,4)22-17(21-15)11-5-7-12(8-6-11)18-14(20)19-13-9-10-13/h5-8,13H,9-10H2,1-4H3,(H2,18,19,20)
(5)Std. InChIKey: TUHNHHNBHVOYFR-UHFFFAOYSA-N

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