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Substance Name: Aniline, N-(3-methyl-1-pentyn-3-yl)-
RN: 14465-46-4
InChIKey: CRZWDGUMTCNDOV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H15-N

Molecular Weight

  • 173.258
 
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Names and Synonyms

Synonyms

  • 3-Anilino-3-methyl-1-pentyne
  • 4-12-00-00270 (Beilstein Handbook Reference)
  • BRN 2803112

Systematic Name

  • Aniline, N-(3-methyl-1-pentyn-3-yl)-

Registry Numbers

CAS Registry Number

  • 14465-46-4

System Generated Number

  • 0014465464

Structure Descriptors

InChI

1S/C12H15N/c1-4-12(3,5-2)13-11-9-7-6-8-10-11/h1,6-10,13H,5H2,2-3H3

InChIKey

CRZWDGUMTCNDOV-UHFFFAOYSA-N

Smiles

N([C@@](CC)(C#C)C)c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 500mg/kg (500mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 7, Pg. 85, 1957.