Cas no 1220573-51-2 (3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo3.2.1oct-2-ene)

3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo3.2.1oct-2-ene structure
1220573-51-2 structure
Product Name:3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo3.2.1oct-2-ene
CAS No:1220573-51-2
MF:C13H22BNO2
MW:235.13028383255
CID:5639318
PubChem ID:145755908
Update Time:2023-11-24

3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo3.2.1oct-2-ene Chemical and Physical Properties

Names and Identifiers

    • 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-2-ene
    • EN300-28275932
    • 1220573-51-2
    • 8-Azabicyclo[3.2.1]oct-2-ene, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
    • 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo3.2.1oct-2-ene
    • Inchi: 1S/C13H22BNO2/c1-12(2)13(3,4)17-14(16-12)9-7-10-5-6-11(8-9)15-10/h7,10-11,15H,5-6,8H2,1-4H3
    • InChI Key: NECRJDOZBKJIAD-UHFFFAOYSA-N
    • SMILES: O1B(C2=CC3CCC(C2)N3)OC(C)(C)C1(C)C

Computed Properties

  • Exact Mass: 235.1743591g/mol
  • Monoisotopic Mass: 235.1743591g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 1
  • Complexity: 348
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 30.5?2

Experimental Properties

  • Density: 1.04±0.1 g/cm3(Predicted)
  • Boiling Point: 282.3±50.0 °C(Predicted)
  • pka: 10.53±0.40(Predicted)

3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo3.2.1oct-2-ene Pricemore >>

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3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo3.2.1oct-2-ene Related Literature

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