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Substance Name: Heptanoic acid, 2-hydroxy-2-isopropenyl-, 1-methyl-4-piperidyl ester
RN: 101913-74-0
InChIKey: ZMDBBSNFEBRSQV-UHFFFAOYSA-N

Molecular Formula

  • C16-H29-N-O3

Molecular Weight

  • 283.409
 
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Names and Synonyms

Synonym

  • 1-Methyl-4-piperidyl-n-amyl-(isopropenyl)glycolate

Systematic Name

  • Heptanoic acid, 2-hydroxy-2-isopropenyl-, 1-methyl-4-piperidyl ester

Registry Numbers

CAS Registry Number

  • 101913-74-0

System Generated Number

  • 0101913740

Structure Descriptors

InChI

1S/C16H29NO3/c1-5-6-7-8-16(19,13(2)3)14(18)20-15(4)9-11-17-12-10-15/h17,19H,2,5-12H2,1,3-4H3

InChIKey

ZMDBBSNFEBRSQV-UHFFFAOYSA-N

Smiles

C([C@@](CCCCC)(C(C)=C)O)(OC1(CCNCC1)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11912,