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4-(azepan-1-ylmethyl)-5-methylisoxazole-3-carboxylic acid
Weight238.287 g/mol
FormulaC12H18N2O3
Hydrogen Acceptors4
Hydrogen Donors1
Aromatic Rings1
Rotatable Bonds3

4-(azepan-1-ylmethyl)-5-methylisoxazole-3-carboxylic acid (893750-11-3)

893750-11-3

Suppliers

Alternate Names

  • 893750-11-3
  • SMILES
    CC1=C(C(=NO1)C(=O)O)CN2CCCCCC2
  • InChIKey
    QFKKRPOPMAWEBA-UHFFFAOYSA-N

Estimated Properties

Boiling Point 338.09 C EPA T.E.S.T.
Boiling Point 370.2 C EPI Suite
Density 1.21 g/cm3 EPA T.E.S.T.
Flash Point 183.82 C EPA T.E.S.T.
Melting Point 151 C EPI Suite
Water Solubility 939.15 mg/L EPA T.E.S.T.
Water Solubility 11955 mg/L EPI Suite

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