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Substance Name: 2-Propyn-1-amine, N,N-bis(1-methylethyl)-3-(3-(trifluoromethyl)phenyl)-, hydrochloride
RN: 65126-82-1
InChIKey: PEONLHWQWNMAJW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H20-F3-N.Cl-H

Molecular Weight

  • 319.7959
 
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Names and Synonyms

Synonym

  • N,N-Bis(1-methylethyl)-3-(3-(trifluoromethyl)phenyl)-2-propyn-1-amine hydrochloride

Systematic Name

  • 2-Propyn-1-amine, N,N-bis(1-methylethyl)-3-(3-(trifluoromethyl)phenyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 65126-82-1

System Generated Number

  • 0065126821

Molecular Formulas

Molecular Formula

  • C16-H20-F3-N.Cl-H

Molecular Formula Fragments

  • C16-H20-F3-N
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H20F3N.ClH/c1-12(2)20(13(3)4)10-6-8-14-7-5-9-15(11-14)16(17,18)19;/h5,7,9,11-13H,10H2,1-4H3;1H

InChIKey

PEONLHWQWNMAJW-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of Medicinal Chemistry. Vol. 21, Pg. 253, 1978.