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Substance Name: Phenethylamine, N-cyanomethyl-beta-methoxy-m-trifluoromethyl-, hydrochloride
RN: 62064-71-5
InChIKey: TXRLCUYFESSGKH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H13-F3-N2-O.Cl-H

Molecular Weight

  • 294.7026
 
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Names and Synonyms

Synonyms

  • Acetonitrile, ((2-methoxy-2-(3-(trifluoromethyl)phenyl)ethyl)amino)-, monohydrochloride
  • N-Cyanomethyl-beta-methoxy-m-trifluoromethylphenethylamine hydrochloride

Systematic Name

  • Phenethylamine, N-cyanomethyl-beta-methoxy-m-trifluoromethyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 62064-71-5

System Generated Number

  • 0062064715

Molecular Formulas

Molecular Formula

  • C12-H13-F3-N2-O.Cl-H

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C12H13F3N2O.ClH/c1-18-11(8-17-6-5-16)9-3-2-4-10(7-9)12(13,14)15;/h2-4,7,11,17H,6,8H2,1H3;1H

InChIKey

TXRLCUYFESSGKH-UHFFFAOYSA-N

Smiles

COC(CNCC#N)c1cccc(c1)C(F)(F)F.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 400mg/kg (400mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 27, Pg. 116, 1977.