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3,4-dihydro-1(2H)-isoquinolinone
Weight147.177 g/mol
FormulaC9H9NO
Hydrogen Acceptors1
Hydrogen Donors1
Aromatic Rings1
Rotatable Bonds0

3,4-dihydro-1(2H)-isoquinolinone (1196-38-9)

1196-38-9

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Alternate Names

  • 1196-38-9
  • SMILES
    C1CNC(=O)C2=CC=CC=C21
  • InChIKey
    YWPMKTWUFVOFPL-UHFFFAOYSA-N

Estimated Properties

Boiling Point 317.54 C EPA T.E.S.T.
Boiling Point 331.26 C EPI Suite
Density 1.12 g/cm3 EPA T.E.S.T.
Flash Point 159.31 C EPA T.E.S.T.
Melting Point 112.67 C EPI Suite
Water Solubility 2096.36 mg/L EPA T.E.S.T.
Water Solubility 4710.9 mg/L EPI Suite

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Synthesis

phenylacetaldehyde  +  Benzamide (Reductive amination)
Reactant  +  Phenethylamine (Schotten-Baumann amide from acid)
2-METHYLBENZAMIDE  +  Reactant (Alkylation of primary amines)
Synthesis of 3,4-dihydro-1(2H)-isoquinolinone ›

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