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2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Weight153.185 g/mol
FormulaC7H11N3O
Hydrogen Acceptors3
Hydrogen Donors1
Aromatic Rings1
Rotatable Bonds0

2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one (27182-43-0)

27182-43-0

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Alternate Names

  • 27182-43-0
  • SMILES
    C1CCC2=NNC(=O)N2CC1
  • InChIKey
    LBVMECGJURCSOI-UHFFFAOYSA-N

Estimated Properties

Boiling Point 353.17 C EPI Suite
Density 1.3 g/cm3 EPA T.E.S.T.
Flash Point 161.35 C EPA T.E.S.T.
Melting Point 127.79 C EPI Suite
Water Solubility 5177.94 mg/L EPA T.E.S.T.
Water Solubility 16849 mg/L EPI Suite

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