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Substance Name: Acedoben [INN]
RN: 556-08-1
UNII: 04Z20NMK31
InChIKey: QCXJEYYXVJIFCE-UHFFFAOYSA-N

Molecular Formula

  • C9-H9-N-O3

Molecular Weight

  • 179.174
 
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Names and Synonyms

Name of Substance

  • Acedoben
  • Acedoben [INN]

Synonyms

  • 4-Acetamidobenzoic acid
  • 4-Acetylaminobenzoic acid
  • 4-Carboxyacetanilide
  • Acedoben
  • Acedoben [INN-Spanish]
  • Acedobene
  • Acedobene [INN-French]
  • Acedobenum
  • Acedobenum [INN-Latin]
  • AI3-16506
  • EINECS 209-114-7
  • N-Acetyl-p-aminobenzoic acid
  • NSC 4002
  • p-Acetaminobenzoic acid
  • p-Acetoaminobenzoic acid
  • PAAB
  • UNII-04Z20NMK31

Systematic Names

  • Acedoben
  • Benzoic acid, 4-(acetylamino)-
  • Benzoic acid, p-acetamido- (8CI)
  • p-Acetamidobenzoic acid

Registry Numbers

CAS Registry Number

  • 556-08-1

FDA UNII

  • 04Z20NMK31

Related Registry Number

  • 29305-16-6 (hydrochloride salt)

System Generated Number

  • 0000556081

Structure Descriptors

InChI

1S/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)

InChIKey

QCXJEYYXVJIFCE-UHFFFAOYSA-N

Smiles

c1c(NC(C)=O)ccc(C(O)=O)c1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 260 dec deg C   EXP
log P (octanol-water) 1.31 (none)   EXP
Water Solubility 4230 mg/L 25 EST
Vapor Pressure 7.14E-07 mm Hg 25 EST
Henry's Law Constant 1.24E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.22E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.