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Substance Name: Ammonium, butyltrimethyl-, iodide
RN: 7722-19-2
InChIKey: XWBIZYHDVFHTID-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H18-N.I

Molecular Weight

  • 243.126
 
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Names and Synonyms

Synonyms

  • Butyltrimethylammonium iodide
  • Iodure de butyl-trimethyl-ammonium
  • Iodure de butyl-trimethyl-ammonium [French]
  • N,N,N-Trimethyl-1-butanaminium iodide
  • Trimethylbutylammonium iodide

Systematic Names

  • 1-Butanaminium, N,N,N-trimethyl-, iodide (9CI)
  • Ammonium, butyltrimethyl-, iodide

Registry Numbers

CAS Registry Number

  • 7722-19-2

Related Registry Number

  • 7685-30-5 (Parent)

System Generated Number

  • 0007722192

Molecular Formulas

Molecular Formula

  • C7-H18-N.I

Molecular Formula Fragments

  • C7-H18-N
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C7H18N.HI/c1-5-6-7-8(2,3)4;/h5-7H2,1-4H3;1H/q+1;/p-1

InChIKey

XWBIZYHDVFHTID-UHFFFAOYSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 20mg/kg (20mg/kg)   "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948Vol. -, Pg. 675, 1948.
mouse LD50 intravenous 2mg/kg (2mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 110, Pg. 369, 1954.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -2.60E+00 (none)   EXP
Water Solubility 1.00E+06 mg/L 25 EST
Vapor Pressure 5.01E-07 mm Hg 25 EST
Henry's Law Constant 6.16E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.72E-11 cm3/molecule-sec 25 EST

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