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Substance Name: Phenethylamine, N-cyanomethyl-alpha-methyl-m-trifluoromethyl-, hydrochloride
RN: 50606-84-3
InChIKey: JLXRGKQAEJXFOB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H13-F3-N2.Cl-H

Molecular Weight

  • 278.7036
 
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Names and Synonyms

Synonyms

  • Acetonitrile, ((1-methyl-2-(3-(trifluoromethyl)phenyl)ethyl)amino)-, hydrochloride
  • N-Cyanomethyl-alpha-methyl-3-trifluoromethylphenethylamine hydrochloride

Systematic Name

  • Phenethylamine, N-cyanomethyl-alpha-methyl-m-trifluoromethyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 50606-84-3

System Generated Number

  • 0050606843

Molecular Formulas

Molecular Formula

  • C12-H13-F3-N2.Cl-H

Molecular Formula Fragments

  • C12-H13-F3-N2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C12H13F3N2.ClH/c1-9(17-6-5-16)7-10-3-2-4-11(8-10)12(13,14)15;/h2-4,8-9,17H,6-7H2,1H3;1H

InChIKey

JLXRGKQAEJXFOB-UHFFFAOYSA-N

Smiles

CC(Cc1cccc(c1)C(F)(F)F)NCC#N.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 500mg/kg (500mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 27, Pg. 116, 1977.