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4-(allylamino)benzoic acid
Weight177.203 g/mol
FormulaC10H11NO2
Hydrogen Acceptors2
Hydrogen Donors2
Aromatic Rings1
Rotatable Bonds4

4-(allylamino)benzoic acid (53624-18-3)

53624-18-3

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Alternate Names

  • 53624-18-3
  • SMILES
    C=CCNC1=CC=C(C=C1)C(=O)O
  • InChIKey
    KAAMYCLKDWDNNY-UHFFFAOYSA-N

Estimated Properties

Boiling Point 301.36 C EPA T.E.S.T.
Boiling Point 323.12 C EPI Suite
Density 1.2 g/cm3 EPA T.E.S.T.
Flash Point 180.41 C EPA T.E.S.T.
Melting Point 101.19 C EPI Suite
Water Solubility 550 mg/L EPA T.E.S.T.
Water Solubility 298.05 mg/L EPI Suite

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Synthesis

4-aminobenzoic acid  +  ALLYL CHLORIDE (Alkylation of primary amines)
Reactant  +  dimethyl sulfide (Corey-Kim oxidation of secondary alcohols)
Reactant  +  1-Hydroxy-1,2-benziodoxol-3(1H)-one 1-oxide (Nicolaou IBX dehydrogenation)
Synthesis of 4-(allylamino)benzoic acid ›

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