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Substance Name: 1-Pentyne, 3-chloro-3-methyl-
RN: 14179-94-3
InChIKey: WTNNDYSRQSOJKB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H9-Cl

Molecular Weight

  • 116.59
 
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Names and Synonyms

Synonyms

  • 3-Chloro-3-methyl-1-pentyne
  • 4-01-00-01021 (Beilstein Handbook Reference)
  • BRN 0969353

Systematic Name

  • 1-Pentyne, 3-chloro-3-methyl-

Registry Numbers

CAS Registry Number

  • 14179-94-3

System Generated Number

  • 0014179943

Structure Descriptors

InChI

1S/C6H9Cl/c1-4-6(3,7)5-2/h1H,5H2,2-3H3

InChIKey

WTNNDYSRQSOJKB-UHFFFAOYSA-N

Smiles

C#C[C@@](CC)(C)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1500mg/kg (1500mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 7, Pg. 85, 1957.