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Substance Name: Ammonium, octyltrimethyl-, iodide
RN: 14251-76-4
InChIKey: RRIQOXRRSJKRFR-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H26-N.I

Molecular Weight

  • 299.233
 
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Names and Synonyms

Synonyms

  • Iodure d'octyl-trimethyl-ammonium
  • Iodure d'octyl-trimethyl-ammonium [French]
  • Iodure de trimethyloctylammonium
  • Iodure de trimethyloctylammonium [French]
  • n-Octyltrimethylammonium iodide
  • Octyltrimethylammonium iodide
  • Trimethyloctylammonium iodide

Systematic Names

  • 1-Octaminium, N,N,N-triethyl-, iodide (9CI)
  • Ammonium, octyltrimethyl-, iodide
  • Ammonium, trimethyloctyl-, hydroxide (8CI)

Registry Numbers

CAS Registry Number

  • 14251-76-4

Related Registry Number

  • 15461-38-8 (Parent)

System Generated Number

  • 0014251764

Molecular Formulas

Molecular Formula

  • C11-H26-N.I

Molecular Formula Fragments

  • C11-H26-N
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C11H26N.HI/c1-5-6-7-8-9-10-11-12(2,3)4;/h5-11H2,1-4H3;1H/q+1;/p-1

InChIKey

RRIQOXRRSJKRFR-UHFFFAOYSA-M

Smiles

C(CCCCCCC)[N+](C)(C)C.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 60mg/kg (60mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
University of California, Berkeley, Publications in Pharmacology. Vol. 1, Pg. 187, 1939.
mouse LD50 parenteral 4mg/kg (4mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Annales Pharmaceutiques Francaises. Vol. 7, Pg. 368, 1949.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -1.07E+00 (none)   EXP
Water Solubility 1.02E+05 mg/L 25 EST
Vapor Pressure 1.93E-08 mm Hg 25 EST
Henry's Law Constant 1.91E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.29E-11 cm3/molecule-sec 25 EST

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