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Substance Name: Acetanilide, 2'-acetyl-
RN: 5234-26-4
InChIKey: YSZGCNKBKQQPAH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H11-N-O2

Molecular Weight

  • 177.202
 
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Names and Synonyms

Synonyms

  • 2'-(Acetylamino)acetophenone
  • 2'-Acetamidoacetophenone
  • 2'-Acetylacetanilide
  • 4-14-00-00092 (Beilstein Handbook Reference)
  • Acetamide, N-(2-acetylphenyl)-
  • Acetamido-2 acetophenone
  • Acetamido-2 acetophenone [French]
  • BRN 0908950
  • N-(2-Acetylphenyl)acetamide
  • NSC 12469
  • o-Acetamidoacetophenone

Systematic Names

  • Acetamide, N-(2-acetylphenyl)- (9CI)
  • Acetanilide, 2'-acetyl-

Registry Numbers

CAS Registry Number

  • 5234-26-4

System Generated Number

  • 0005234264

Structure Descriptors

InChI

1S/C10H11NO2/c1-7(12)9-5-3-4-6-10(9)11-8(2)13/h3-6H,1-2H3,(H,11,13)

InChIKey

YSZGCNKBKQQPAH-UHFFFAOYSA-N

Smiles

c1(c(cccc1)NC(C)=O)C(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   French Demande Patent Document. Vol. #2121391,
mouse LD50 oral 1296mg/kg (1296mg/kg) BEHAVIORAL: ANALGESIA Farmaco, Edizione Scientifica. Vol. 38, Pg. 847, 1983.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.5 (none)   EXP
Water Solubility 2980 mg/L 25 EST
Vapor Pressure 1.15E-05 mm Hg 25 EST
Henry's Law Constant 1.12E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.15E-11 cm3/molecule-sec 25 EST

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