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Substance Name: Ammonium, (2-hydroxyethyl)trimethyl-, iodide, heptanoate
RN: 2922-17-0
InChIKey: VSOJECLTTFLJFC-UHFFFAOYSA-M

Molecular Formula

  • C12-H26-N-O2.I

Molecular Weight

  • 343.242
 
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Names and Synonyms

Synonyms

  • (2-Hydroxyethyl)trimethylammonium iodide heptanoate
  • n-Heptanoylcholine iodide

Systematic Names

  • Ammonium, (2-hydroxyethyl)trimethyl-, iodide, heptanoate
  • Choline, iodide, heptanoate

Registry Numbers

CAS Registry Number

  • 2922-17-0

System Generated Number

  • 0002922170

Molecular Formulas

Molecular Formula

  • C12-H26-N-O2.I

Molecular Formula Fragments

  • C12-H26-N-O2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C12H26NO2.HI/c1-5-6-7-8-9-12(14)15-11-10-13(2,3)4;/h5-11H2,1-4H3;1H/q+1;/p-1

InChIKey

VSOJECLTTFLJFC-UHFFFAOYSA-M

Smiles

O(C(CCCCCC)=O)CC[N+](C)(C)C.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 178mg/kg (178mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00681,