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Weight112.132 g/mol
FormulaC5H8N2O
Hydrogen Acceptors2
Hydrogen Donors2
Aromatic Rings0
Rotatable Bonds0

AKOS005264042 (80986-21-6)

(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-3-one  ·  80986-21-6

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Alternate Names

  • (1S,4S)-2,5-diazabicyclo[2.2.1]heptan-3-one
  • 80986-21-6
  • SMILES
    C1C2CNC1C(=O)N2
  • InChIKey
    QNXBWPAFCHPJMM-UHFFFAOYSA-N

Estimated Properties

Boiling Point 240.55 C EPA T.E.S.T.
Boiling Point 293.02 C EPI Suite
Density 1.13 g/cm3 EPA T.E.S.T.
Flash Point 162.97 C EPA T.E.S.T.
Melting Point 104.6 C EPI Suite
Water Solubility 133533 mg/L EPA T.E.S.T.
Water Solubility 1e+06 mg/L EPI Suite

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