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Substance Name: Mandelic acid, alpha-(3-methyl-1-pentynyl)-, 1-methyl-4-piperidyl ester
RN: 101711-09-5
InChIKey: HDUXUOVCPBZSCM-UHFFFAOYSA-N

Molecular Formula

  • C20-H27-N-O3

Molecular Weight

  • 329.437
 
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Names and Synonyms

Synonym

  • 1-Methyl-4-piperidyl phenyl(3-methyl-1-pentynyl)glycolate

Systematic Name

  • Mandelic acid, alpha-(3-methyl-1-pentynyl)-, 1-methyl-4-piperidyl ester

Registry Numbers

CAS Registry Number

  • 101711-09-5

System Generated Number

  • 0101711095

Structure Descriptors

InChI

1S/C20H27NO3/c1-4-16(2)10-13-20(23,17-8-6-5-7-9-17)19(22)24-18-11-14-21(3)15-12-18/h5-9,16,18,23H,4,11-12,14-15H2,1-3H3

InChIKey

HDUXUOVCPBZSCM-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 13mg/kg (13mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11843,