Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 3-Hexyn-5-enoic acid, 2-hydroxy-2-isopropyl-5-methyl-, 1-methyl-4-piperidyl ester
RN: 101564-60-7
InChIKey: CFZMIFMEOHIJET-UHFFFAOYSA-N

Molecular Formula

  • C16-H25-N-O3

Molecular Weight

  • 279.378
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • 1-Methyl-4-piperidyl isopropyl(3-methylbut-1-yn-3-enyl)glycolate

Systematic Name

  • 3-Hexyn-5-enoic acid, 2-hydroxy-2-isopropyl-5-methyl-, 1-methyl-4-piperidyl ester

Registry Numbers

CAS Registry Number

  • 101564-60-7

System Generated Number

  • 0101564607

Structure Descriptors

InChI

1S/C16H25NO3/c1-12(2)6-9-16(19,13(3)4)15(18)20-14-7-10-17(5)11-8-14/h13-14,19H,1,7-8,10-11H2,2-5H3

InChIKey

CFZMIFMEOHIJET-UHFFFAOYSA-N

Smiles

C([C@@](C#CC(C)=C)(C(C)C)O)(OC1CCN(C)CC1)=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#11735,