Product Name

  • Name

    4-[(PYRROLIDIN-1-YLCARBONYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 97

  • EINECS
  • CAS No. 874290-95-6
  • Density 1.13 g/cm3
  • Solubility
  • Melting Point 243-245 °C
  • Formula C17H25BN2O3
  • Boiling Point 492.4 °C at 760 mmHg
  • Molecular Weight 316.208
  • Flash Point 251.6 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 874290-95-6 (4-[(PYRROLIDIN-1-YLCARBONYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 97)
  • Hazard Symbols IrritantXi
  • Synonyms 4-[(PYRROLIDIN-1-YLCARBONYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 97;4-(PYRROLIDINYLCARBONYLAMINO)PHENYLBORONIC ACID, PINACOL ESTER;4-[(PYRROLIDIN-1-YLCARBONYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER;N-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]PYRROLIDINE-1-CARBOXAMIDE;4-[(Pyrrolidin-1-ylcarbonyl)amino]benzeneboronic acid, pinacol ester 97%;4-(1-PyrrolidinylcarbonylaMino)benzeneboronic acid pinacol ester, 97%;1-PyrrolidinecarboxaMide, N-[4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)phenyl]-;Pyrrolidine-1-carboxylic acid [4-(4,4,5,5-tetraMethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-aMide
  • PSA 50.80000
  • LogP 2.62440

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

The 1-Pyrrolidinecarboxamide,N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- is an organic compound with the formula C17H25BN2O3. The systematic name of this chemical is N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide. With the CAS registry number 874290-95-6, it is also named as -[(Pyrrolidin-1-ylcarbonyl)amino]benzeneboronic acid, pinacol ester. The product's categories are Blocks; BoronicAcids.

Physical properties about 1-Pyrrolidinecarboxamide,N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- are: (1)#H bond acceptors: 5; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 50.8 Å2; (5)Index of Refraction: 1.546; (6)Molar Refractivity: 88.21 cm3; (7)Molar Volume: 278.4 cm3; (8)Polarizability: 34.97×10-24cm3; (9)Surface Tension: 42.4 dyne/cm; (10)Density: 1.13 g/cm3; (11)Flash Point: 251.6 °C; (12)Enthalpy of Vaporization: 75.93 kJ/mol; (13)Boiling Point: 492.4 °C at 760 mmHg; (14)Vapour Pressure: 7.7E-10 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)N3CCCC3
(2)InChI: InChI=1/C17H25BN2O3/c1-16(2)17(3,4)23-18(22-16)13-7-9-14(10-8-13)19-15(21)20-11-5-6-12-20/h7-10H,5-6,11-12H2,1-4H3,(H,19,21)
(3)InChIKey: YYWNYUFLSXVMRD-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C17H25BN2O3/c1-16(2)17(3,4)23-18(22-16)13-7-9-14(10-8-13)19-15(21)20-11-5-6-12-20/h7-10H,5-6,11-12H2,1-4H3,(H,19,21)
(5)Std. InChIKey: YYWNYUFLSXVMRD-UHFFFAOYSA-N

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