4-{[(3-methyl-2-thienyl)methyl]amino}benzoic acid
Weight247.319 g/mol
FormulaC13H13NO2S
Hydrogen Acceptors3
Hydrogen Donors2
Aromatic Rings2
Rotatable Bonds4

4-{[(3-methyl-2-thienyl)methyl]amino}benzoic acid (869950-51-6)

869950-51-6

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Alternate Names

  • 869950-51-6
  • SMILES
    CC1=C(SC=C1)CNC2=CC=C(C=C2)C(=O)O
  • InChIKey
    PVOPXJDFVBSJES-UHFFFAOYSA-N

Estimated Properties

Boiling Point 343.47 C EPA T.E.S.T.
Boiling Point 403.7 C EPI Suite
Density 1.29 g/cm3 EPA T.E.S.T.
Flash Point 189.74 C EPA T.E.S.T.
Melting Point 164.54 C EPI Suite
Water Solubility 148.46 mg/L EPA T.E.S.T.
Water Solubility 13.042 mg/L EPI Suite

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