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Substance Name: 3-Pentynoic acid, 2-hydroxy-2-(1-propynyl)-, 1-methyl-4-piperidyl ester
RN: 101931-79-7
InChIKey: PJWQCCFSMZZYBL-UHFFFAOYSA-N

Molecular Formula

  • C14-H19-N-O3

Molecular Weight

  • 249.3081
 
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Names and Synonyms

Synonym

  • 1-Methyl-4-piperidyl di(1-propynyl)glycolate

Systematic Name

  • 3-Pentynoic acid, 2-hydroxy-2-(1-propynyl)-, 1-methyl-4-piperidyl ester

Registry Numbers

CAS Registry Number

  • 101931-79-7

System Generated Number

  • 0101931797

Structure Descriptors

InChI

1S/C14H19NO3/c1-4-8-14(17,9-5-2)13(16)18-12-6-10-15(3)11-7-12/h12,17H,6-7,10-11H2,1-3H3

InChIKey

PJWQCCFSMZZYBL-UHFFFAOYSA-N

Smiles

CC#CC(C#CC)(C(=O)OC1CCN(CC1)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 178mg/kg (178mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11677,