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Substance Name: Acetophenone, 3',4'-dihydroxy-2-(isopropylamino)-, hydrochloride
RN: 16899-81-3
InChIKey: IUNGEEAXDFWWSQ-UHFFFAOYSA-N

Molecular Formula

  • C11-H15-N-O3.Cl-H

Molecular Weight

  • 245.704
 
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Names and Synonyms

Synonyms

  • 3',4'-Dihydroxy-2-(isopropylamino)acetophenone hydrochloride
  • 3,4-Dihydroxy-alpha-(isopropylamino)acetophenone hydrochloride
  • EINECS 240-943-7
  • NSC 23623
  • U 12969A

Systematic Names

  • 1-(3,4-Dihydroxyphenyl)-2-((1-methylethyl)amino) hydrochloride
  • Acetophenone, 3',4'-dihydroxy-2-(isopropylamino)-, hydrochloride
  • Ethanone, 1-(3,4-dihydroxyphenyl)-2-((1-methylethyl)amino)-, hydrochloride (9CI)

Registry Numbers

CAS Registry Number

  • 16899-81-3

System Generated Number

  • 0016899813

Molecular Formulas

Molecular Formula

  • C11-H15-N-O3.Cl-H

Molecular Formula Fragments

  • C11-H15-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C11H15NO3.ClH/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8;/h3-5,7,12-14H,6H2,1-2H3;1H

InChIKey

IUNGEEAXDFWWSQ-UHFFFAOYSA-N

Smiles

c1(cc(c(O)cc1)O)C(C[NH2+]C(C)C)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 470mg/kg (470mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 92, Pg. 369, 1948.
mouse LD50 intravenous 75mg/kg (75mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07869,