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Substance Name: 3',5'-Dimethylacetaminophen
RN: 22900-79-4
InChIKey: FQCIYRLHNCRDKD-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C10-H13-N-O2

Molecular Weight

  • 179.218
 
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Names and Synonyms

Name of Substance

  • 3',5'-Dimethylacetaminophen

Synonyms

  • 3,5-Dimethyl-4-hydroxyacetanilide
  • 3,5-Dimethylacetaminophen
  • 3,5-Dimethylparacetamol
  • Acetamide, N-(3,5-dimethyl-4-hydroxyphenyl)-
  • BRN 2723443

Systematic Names

  • 3',5'-Acetoxylidide, 4'-hydroxy-
  • Acetamide, N-(4-hydroxy-3,5-dimethylphenyl)- (9CI)

Registry Numbers

CAS Registry Number

  • 22900-79-4

System Generated Number

  • 0022900794

Structure Descriptors

InChI

1S/C10H13NO2/c1-6-4-9(11-8(3)12)5-7(2)10(6)13/h4-5,13H,1-3H3,(H,11,12)

InChIKey

FQCIYRLHNCRDKD-UHFFFAOYSA-N

Smiles

CC(=O)Nc1cc(C)c(O)c(C)c1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.11 (none)   EXP
Water Solubility 6260 mg/L 25 EST
Vapor Pressure 1.05E-06 mm Hg 25 EST
Henry's Law Constant 7.82E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.88E-11 cm3/molecule-sec 25 EST

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