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Substance Name: Mandelic acid, alpha-propenyl-, 1-methyl-4-piperidyl ester
RN: 101711-14-2
InChIKey: IHXKWUOCAVXMOP-QDEBKDIKSA-N

Molecular Formula

  • C17-H23-N-O3

Molecular Weight

  • 289.373
 
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Names and Synonyms

Synonyms

  • 1-Methyl-4-piperidyl phenyl (1-propenyl)glycolate
  • 1-Methyl-4-piperidyl phenyl(trans-1-propenyl)glycolate
  • alpha-Propenylmandelic acid 1-methyl-4-piperidyl ester

Systematic Name

  • Mandelic acid, alpha-propenyl-, 1-methyl-4-piperidyl ester

Registry Numbers

CAS Registry Number

  • 101711-14-2

System Generated Number

  • 0101711142

Structure Descriptors

InChI

1S/C17H23NO3/c1-3-11-17(20,14-7-5-4-6-8-14)16(19)21-15-9-12-18(2)13-10-15/h3-8,11,15,20H,9-10,12-13H2,1-2H3/b11-3+

InChIKey

IHXKWUOCAVXMOP-QDEBKDIKSA-N

Smiles

c1([C@@](C(OC2CCN(C)CC2)=O)(\C=C\C)O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 32mg/kg (32mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11342,