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Substance Name: 4-Piperidinol, 1-(6-nitrohexyl)-4-phenyl-, propionate (ester), hydrobromide
RN: 102071-59-0
InChIKey: HGZNJIWDAHBDLO-UHFFFAOYSA-N

Molecular Formula

  • C19-H28-N2-O4.Br-H

Molecular Weight

  • 443.3789
 
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Names and Synonyms

Synonyms

  • 1-(6-Nitrohexyl)-4-phenyl-4-piperidinol propionate (ester) hydrobromide
  • 1-(6-Nitrohexyl)4-acetoxy-4-phenylpiperidine hydrobromide

Systematic Name

  • 4-Piperidinol, 1-(6-nitrohexyl)-4-phenyl-, propionate (ester), hydrobromide

Registry Numbers

CAS Registry Number

  • 102071-59-0

System Generated Number

  • 0102071590

Molecular Formulas

Molecular Formula

  • C19-H28-N2-O4.Br-H

Molecular Formula Fragments

  • Br-H
  • C19-H28-N2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C20H30N2O4.BrH/c1-2-19(23)26-20(18-10-6-5-7-11-18)12-16-21(17-13-20)14-8-3-4-9-15-22(24)25;/h5-7,10-11H,2-4,8-9,12-17H2,1H3;1H

InChIKey

HGZNJIWDAHBDLO-UHFFFAOYSA-N

Smiles

CCC(=O)OC1(CCN(CC1)CCCCCC[N+](=O)[O-])c2ccccc2.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 14mg/kg (14mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#10981,