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Weight179.219 g/mol
FormulaC10H13NO2
Hydrogen Acceptors2
Hydrogen Donors1
Aromatic Rings1
Rotatable Bonds3

phenacetin (62-44-2)

Acetophenetidin

Score: #601 in Biology , #638 in Chemistry
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Most-cited Publications

Areas of Application

Safety

  • H302: Harmful if swallowed
    Warning Acute toxicity, oral - Category 4
  • H350: May cause cancer
    Danger Carcinogenicity - Category 1A, 1B
  • H370: Causes damage to organs
    Danger Specific target organ toxicity, single exposure - Category 1

Trends

Alternate Names

  • Acetophenetidin
  • SMILES
    CCOC1=CC=C(C=C1)NC(=O)C
  • InChIKey
    CPJSUEIXXCENMM-UHFFFAOYSA-N

Estimated Properties

Boiling Point 293.21 C EPA T.E.S.T.
Density 1.1 g/cm3 EPA T.E.S.T.
Flash Point 159.04 C EPA T.E.S.T.
Water Solubility 863.43 mg/L EPA T.E.S.T.

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Synthesis

Acetaminophen  +  Chloroethane (Williamson ether)
ACETYL CHLORIDE  +  4-ETHOXYANILINE (Schotten-Baumann amide from acid)
Reactant  +  Acetylaminyl radical (Chan-Lam coupling reaction)
Synthesis of phenacetin ›

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