Cas no 62502-74-3 (1-Triazene, 3,3-diethyl-1-hydroxy-, 2-oxide)

1-Triazene, 3,3-diethyl-1-hydroxy-, 2-oxide structure
62502-74-3 structure
Product Name:1-Triazene, 3,3-diethyl-1-hydroxy-, 2-oxide
CAS No:62502-74-3
MF:C4H11N3O2
MW:133.149040460587
CID:1638042
Update Time:2024-09-11

1-Triazene, 3,3-diethyl-1-hydroxy-, 2-oxide Chemical and Physical Properties

Names and Identifiers

    • 1-Triazene, 3,3-diethyl-1-hydroxy-, 2-oxide
    • Inchi: 1S/C4H11N3O2/c1-3-6(4-2)7(9)5-8/h8H,3-4H2,1-2H3
    • InChI Key: FOSISNXVGQBIAP-UHFFFAOYSA-N
    • SMILES: N(O)=[N+]([O-])N(CC)CC

Computed Properties

  • Exact Mass: 133.08523
  • Monoisotopic Mass: 133.085
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 3
  • Complexity: 83.9
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0

Experimental Properties

  • Density: 1.14±0.1 g/cm3(Predicted)
  • Boiling Point: 225.7±23.0 °C(Predicted)
  • PSA: 61.9
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