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2-(propylamino)benzoic acid
Weight179.219 g/mol
FormulaC10H13NO2
Hydrogen Acceptors2
Hydrogen Donors2
Aromatic Rings1
Rotatable Bonds4

2-(propylamino)benzoic acid (21716-81-4)

21716-81-4

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Alternate Names

  • 21716-81-4
  • SMILES
    CCCNC1=CC=CC=C1C(=O)O
  • InChIKey
    VVXHQGJZORQMOC-UHFFFAOYSA-N

Estimated Properties

Boiling Point 307.43 C EPA T.E.S.T.
Boiling Point 324.1 C EPI Suite
Density 1.2 g/cm3 EPA T.E.S.T.
Flash Point 164.73 C EPA T.E.S.T.
Melting Point 102.06 C EPI Suite
Water Solubility 623.53 mg/L EPA T.E.S.T.
Water Solubility 143.9 mg/L EPI Suite

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Synthesis

anthranilic acid  +  1-CHLOROPROPANE (Alkylation of primary amines)
Propylboronic acid  +  CID 5465077 (Chan-Lam coupling reaction)
Reactant  +  dimethyl sulfide (Corey-Kim oxidation of secondary alcohols)
Synthesis of 2-(propylamino)benzoic acid ›

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