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Substance Name: Pyridinium, 2-(3-hydroxypropyl)-1-(2-propynyl)-, bromide
RN: 13434-20-3
InChIKey: UNXJABUFCNQFHF-UHFFFAOYSA-M

Molecular Formula

  • C11-H14-N-O.Br

Molecular Weight

  • 256.142
 
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Names and Synonyms

Synonym

  • 2-gamma-Hydroxypropyl-N-propargyl pyridinium bromide

Systematic Name

  • Pyridinium, 2-(3-hydroxypropyl)-1-(2-propynyl)-, bromide

Registry Numbers

CAS Registry Number

  • 13434-20-3

System Generated Number

  • 0013434203

Molecular Formulas

Molecular Formula

  • C11-H14-N-O.Br

Molecular Formula Fragments

  • Br
  • C11-H14-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C11H14NO.BrH/c1-2-8-12-9-4-3-6-11(12)7-5-10-13;/h1,3-4,6,9,13H,5,7-8,10H2;1H/q+1;/p-1

InChIKey

UNXJABUFCNQFHF-UHFFFAOYSA-M

Smiles

c1(cccc[n+]1CC#C)CCCO.[BrH-]

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#07129,