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Substance Name: 1-Propanone, 1-(4-aminophenyl)-, sulfate (2:1) (9CI)
RN: 6170-26-9
InChIKey: IMRXDUWCXOLCOD-UHFFFAOYSA-N

Molecular Formula

  • C18-H22-N2-O2.H2-O4-S

Molecular Weight

  • 396.462
 
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Names and Synonyms

Synonyms

  • 1-(4-Aminophenyl)-1-propanone sulfate (2:1)
  • p-Aminopropiophenone sulfate

Systematic Names

  • 1-Propanone, 1-(4-aminophenyl)-, sulfate (2:1) (9CI)
  • Propiophenone, 4'-amino-, sulfate (2:1)

Registry Numbers

CAS Registry Number

  • 6170-26-9

System Generated Number

  • 0006170269

Molecular Formulas

Molecular Formula

  • C18-H22-N2-O2.H2-O4-S

Molecular Formula Fragments

  • C18-H22-N2-O2
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/2C9H11NO.H2O4S/c2*1-2-9(11)7-3-5-8(10)6-4-7;1-5(2,3)4/h2*3-6H,2,10H2,1H3;(H2,1,2,3,4)

InChIKey

IMRXDUWCXOLCOD-UHFFFAOYSA-N

Smiles

C(CC)(=O)c1ccc(cc1)N.S(=O)(=O)(O)O.C(CC)(=O)c1ccc(cc1)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 133mg/kg (133mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.