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Substance Name: Mandelic acid, alpha-(3,3,3-trifluoro-1-propyn-1-yl)-, 1-methyl-4-piperidyl ester
RN: 101711-20-0
InChIKey: MBVOUOOXWCDBOS-UHFFFAOYSA-N

Molecular Formula

  • C17-H18-F3-N-O3

Molecular Weight

  • 341.327
 
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Names and Synonyms

Synonym

  • 1-Methyl-4-piperidyl phenyl(3,3,3-trifluoropropynyl)glycolate

Systematic Name

  • Mandelic acid, alpha-(3,3,3-trifluoro-1-propyn-1-yl)-, 1-methyl-4-piperidyl ester

Registry Numbers

CAS Registry Number

  • 101711-20-0

System Generated Number

  • 0101711200

Structure Descriptors

InChI

1S/C17H18F3NO3/c1-21-11-7-14(8-12-21)24-15(22)16(23,9-10-17(18,19)20)13-5-3-2-4-6-13/h2-6,14,23H,7-8,11-12H2,1H3

InChIKey

MBVOUOOXWCDBOS-UHFFFAOYSA-N

Smiles

c1([C@@](C(OC2CCN(C)CC2)=O)(C#CC(F)(F)F)O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 7500ug/kg (7.5mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11842,