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Weight247.298 g/mol
FormulaC13H17N3O2
Hydrogen Acceptors4
Hydrogen Donors1
Aromatic Rings1
Rotatable Bonds2

STK400567 (418805-51-3)

418805-51-3  ·  3-(1H-1,2,4-triazol-1-yl)-1-adamantanecarboxylic acid

Suppliers

Alternate Names

  • 418805-51-3
  • 3-(1H-1,2,4-triazol-1-yl)-1-adamantanecarboxylic acid
  • SMILES
    C1C2CC3(CC1CC(C2)(C3)N4C=NC=N4)C(=O)O
  • InChIKey
    NTUMBFHGMUZUBG-UHFFFAOYSA-N

Estimated Properties

Boiling Point 333.46 C EPA T.E.S.T.
Boiling Point 377.92 C EPI Suite
Density 1.29 g/cm3 EPA T.E.S.T.
Flash Point 229.94 C EPA T.E.S.T.
Melting Point 155.57 C EPI Suite
Water Solubility 1755.53 mg/L EPA T.E.S.T.
Water Solubility 3421.6 mg/L EPI Suite

External Links

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