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Substance Name: 3-Pentenoic acid, 2-hydroxy-2-isopropyl-, 1-methyl-4-piperidyl ester (Z)-
RN: 101931-74-2
InChIKey: ATNZWHAGSAJESA-YVMONPNESA-N

Molecular Formula

  • C14-H25-N-O3

Molecular Weight

  • 255.3555
 
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Names and Synonyms

Synonyms

  • (Z)-2-Hydroxy-2-isopropyl-3-pentynoic acid 1-methyl-4-piperidyl ester
  • 1-Methyl-4-piperidyl isopropyl(cis-1-propenyl)glycolate

Systematic Name

  • 3-Pentenoic acid, 2-hydroxy-2-isopropyl-, 1-methyl-4-piperidyl ester (Z)-

Registry Numbers

CAS Registry Number

  • 101931-74-2

System Generated Number

  • 0101931742

Structure Descriptors

InChI

1S/C14H25NO3/c1-5-8-14(17,11(2)3)13(16)18-12-6-9-15(4)10-7-12/h5,8,11-12,17H,6-7,9-10H2,1-4H3/b8-5-

InChIKey

ATNZWHAGSAJESA-YVMONPNESA-N

Smiles

C/C=C\C(C(C)C)(C(=O)OC1CCN(CC1)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#11566,