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Substance Name: Mandelic acid, alpha-(1-cyclopentenyl)-, 1-methyl-4-piperidyl ester
RN: 101756-57-4
InChIKey: IASMQVFEPVIFDD-UHFFFAOYSA-N

Molecular Formula

  • C19-H25-N-O3

Molecular Weight

  • 315.4105
 
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Names and Synonyms

Synonym

  • 1-Methyl-4-piperidyl phenyl(1-cyclopentenyl)glycolate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 101756-57-4

System Generated Number

  • 0101756574

Structure Descriptors

InChI

1S/C19H25NO3/c1-20-13-11-17(12-14-20)23-18(21)19(22,16-9-5-6-10-16)15-7-3-2-4-8-15/h2-4,7-9,17,22H,5-6,10-14H2,1H3

InChIKey

IASMQVFEPVIFDD-UHFFFAOYSA-N

Smiles

CN1CCC(CC1)OC(=O)C(c2ccccc2)(C3=CCCC3)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11812,