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Substance Name: Valeric acid, 2-hydroxy-3-methyl-2-(1-propynyl)-, 1-methyl-4-piperidyl ester
RN: 102584-93-0
InChIKey: RCNMKPMLOOLTGJ-UHFFFAOYSA-N

Molecular Formula

  • C15-H25-N-O3

Molecular Weight

  • 267.3665
 
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Names and Synonyms

Synonyms

  • 1-Methyl-4-piperidyl sec-butyl(1-propynyl)glycolate A
  • 1-Methyl-4-piperidyl sec-butyl(1-propynyl)glycolate B
  • Pentanoic acid, 2-hydroxy-3-methyl-2-(1-propynyl)-, 1-methyl-4-piperidyl ester

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 102584-93-0

System Generated Number

  • 0102584930

Structure Descriptors

InChI

1S/C15H25NO3/c1-5-9-15(18,12(3)6-2)14(17)19-13-7-10-16(4)11-8-13/h12-13,18H,6-8,10-11H2,1-4H3

InChIKey

RCNMKPMLOOLTGJ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 42mg/kg (42mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11748,