6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-3-carboxylic acid
Weight181.195 g/mol
FormulaC8H11N3O2
Hydrogen Acceptors4
Hydrogen Donors1
Aromatic Rings1
Rotatable Bonds1

6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-3-carboxylic acid (1177311-87-3)

1177311-87-3

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Alternate Names

  • 1177311-87-3
  • SMILES
    C1CCC2=NN=C(N2CC1)C(=O)O
  • InChIKey
    FLFCMTLBRUFPTL-UHFFFAOYSA-N

Estimated Properties

Boiling Point 309.76 C EPA T.E.S.T.
Boiling Point 335.65 C EPI Suite
Density 1.33 g/cm3 EPA T.E.S.T.
Flash Point 179.16 C EPA T.E.S.T.
Melting Point 130.43 C EPI Suite
Water Solubility 3352.64 mg/L EPA T.E.S.T.
Water Solubility 25679 mg/L EPI Suite

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