Cas no 2167453-53-2 (tert-Butyl 6-hydroxy-3-azabicyclo[4.1.0]heptane-3-carboxylate)

tert-Butyl 6-hydroxy-3-azabicyclo[4.1.0]heptane-3-carboxylate structure
2167453-53-2 structure
Product Name:tert-Butyl 6-hydroxy-3-azabicyclo[4.1.0]heptane-3-carboxylate
CAS No:2167453-53-2
MF:C11H19NO3
MW:213.273463487625
CID:5769407
PubChem ID:154725689
Update Time:2023-11-17

tert-Butyl 6-hydroxy-3-azabicyclo[4.1.0]heptane-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • EN300-7180210
    • 2167453-53-2
    • tert-Butyl 6-hydroxy-3-azabicyclo[4.1.0]heptane-3-carboxylate
    • 3-Azabicyclo[4.1.0]heptane-3-carboxylic acid, 6-hydroxy-, 1,1-dimethylethyl ester
    • Inchi: 1S/C11H19NO3/c1-10(2,3)15-9(13)12-5-4-11(14)6-8(11)7-12/h8,14H,4-7H2,1-3H3
    • InChI Key: ANYXOONFHQCZBY-UHFFFAOYSA-N
    • SMILES: OC12CCN(C(=O)OC(C)(C)C)CC1C2

Computed Properties

  • Exact Mass: 213.13649347g/mol
  • Monoisotopic Mass: 213.13649347g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 284
  • 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
  • XLogP3: 0.8
  • Topological Polar Surface Area: 49.8?2

Experimental Properties

  • Density: 1.217±0.06 g/cm3(Predicted)
  • Boiling Point: 302.9±35.0 °C(Predicted)
  • pka: 14.87±0.20(Predicted)

tert-Butyl 6-hydroxy-3-azabicyclo[4.1.0]heptane-3-carboxylate Pricemore >>

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