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Substance Name: Choline iodide propionate
RN: 2494-55-5
InChIKey: ZMFGAUXLTPASPR-UHFFFAOYSA-M

Molecular Formula

  • C8-H18-N-O2.I

Molecular Weight

  • 287.135
 
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Names and Synonyms

Results Name

  • Choline iodide propionate

Synonyms

  • (2-Hydroxyethyl)trimethylammonium iodide propionate
  • Ammonium, (2-hydroxyethyl)trimethyl-, iodide, propionate
  • Choline, iodide, propionate
  • Choline, propionate, iodide
  • EINECS 219-665-5
  • N,N,N-Trimethyl-2-(1-oxopropoxy)ethanaminium iodide
  • NSC 83572
  • Propionylcholine iodide

Systematic Names

  • Choline, iodide, propionate
  • Ethanaminium, N,N,N-trimethyl-2-(1-oxopropoxy)-, iodide
  • Ethanaminium, N,N,N-trimethyl-2-(1-oxopropoxy)-, iodide (1:1)
  • Trimethyl(2-propionyloxyethyl)ammonium iodide

Registry Numbers

CAS Registry Number

  • 2494-55-5

Other Registry Number

  • 4531-56-0

Related Registry Number

  • 5072-54-8 (Parent)

System Generated Number

  • 0002494555

Molecular Formulas

Molecular Formula

  • C8-H18-N-O2.I

Molecular Formula Fragments

  • C8-H18-N-O2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C8H18NO2.HI/c1-5-8(10)11-7-6-9(2,3)4;/h5-7H2,1-4H3;1H/q+1;/p-1

InChIKey

ZMFGAUXLTPASPR-UHFFFAOYSA-M

Smiles

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

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#03798,
mouse LD50 subcutaneous 525mg/kg (525mg/kg)   Farmaco, Edizione Scientifica. Vol. 21, Pg. 51, 1966.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -2.96E+00 (none)   EXP
Water Solubility 1.00E+06 mg/L 25 EST
Vapor Pressure 3.35E-08 mm Hg 25 EST
Henry's Law Constant 1.11E-14 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.68E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.