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Substance Name: Cyclopentaneglycolic acid, alpha-(3-methylbut-1-ynyl)-, 1-methyl-4-piperidyl ester
RN: 92956-71-3
InChIKey: CHCMIZHVANMTNZ-UHFFFAOYSA-N

Molecular Formula

  • C18-H29-N-O3

Molecular Weight

  • 307.4311
 
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Names and Synonyms

Synonyms

  • 1-Methyl-4-piperidyl cyclopentyl(4-methyl-1-butynyl)glycolate
  • alpha-(3-Methylbut-1-ynyl)cyclopentaneglycolic acid 1-methyl-4-piperidyl ester

Systematic Name

  • Cyclopentaneglycolic acid, alpha-(3-methylbut-1-ynyl)-, 1-methyl-4-piperidyl ester

Registry Numbers

CAS Registry Number

  • 92956-71-3

System Generated Number

  • 0092956713

Structure Descriptors

InChI

1S/C18H29NO3/c1-3-4-7-12-18(21,15-8-5-6-9-15)17(20)22-16-10-13-19(2)14-11-16/h15-16,21H,3-6,8-11,13-14H2,1-2H3

InChIKey

CHCMIZHVANMTNZ-UHFFFAOYSA-N

Smiles

CCCC#CC(C1CCCC1)(C(=O)OC2CCN(CC2)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 63mg/kg (63mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11545,