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Substance Name: Ammonium, (5-methylfurfuryl)trimethyl-, iodide
RN: 1197-60-0
InChIKey: IHTCZSNKQINGDD-UHFFFAOYSA-M

Molecular Formula

  • C9-H16-N-O.I

Molecular Weight

  • 281.131
 
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Names and Synonyms

Synonyms

  • (5-Methylfurfuryl)trimethylammonium iodide
  • 5 MFT
  • 5-Methylfurmithide
  • 5-Methylfurtrethonium iodide
  • AI3-61538
  • Ammonium, (5-methylfurfuryl)trimethyl-, iodide
  • Ammonium, trimethyl(5-methylfurfuryl)-, iodide
  • Methylfurmethide
  • Methylfurmethide iodide
  • Methylfurmetide
  • N,N,N,5-Tetramethyl-2-furanmethanaminium iodide
  • NSC 34095
  • Preparation 7070

Systematic Names

  • 2-Furanmethanaminium, N,N,N,5-tetramethyl-, iodide (9CI)
  • 2-Furanmethaniminium, N,N,N,5-tetramethyl-, iodide
  • Ammonium, (5-methylfurfuryl)trimethyl-, iodide

Registry Numbers

CAS Registry Number

  • 1197-60-0

Related Registry Number

  • 14172-53-3 (Parent)

System Generated Number

  • 0001197600

Molecular Formulas

Molecular Formula

  • C9-H16-N-O.I

Molecular Formula Fragments

  • C9-H16-N-O
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C9H16NO.HI/c1-8-5-6-9(11-8)7-10(2,3)4;/h5-6H,7H2,1-4H3;1H/q+1;/p-1

InChIKey

IHTCZSNKQINGDD-UHFFFAOYSA-M

Smiles

c1(oc(C)cc1)C[N+](C)(C)C.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 3795ug/kg (3.795mg/kg) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

KIDNEY, URETER, AND BLADDER: INCONTINENCE
Toxicology and Applied Pharmacology. Vol. 37, Pg. 184, 1976.
mouse LD50 subcutaneous 33mg/kg (33mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 7, Pg. 130, 1952.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -1.85E+00 (none)   EXP
Water Solubility 6.00E+05 mg/L 25 EST
Vapor Pressure 2.23E-08 mm Hg 25 EST
Henry's Law Constant 2.34E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.41E-10 cm3/molecule-sec 25 EST

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