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Substance Name: Ammonium, (m-hydroxyphenyl)trimethyl-, iodide
RN: 2498-27-3
InChIKey: KNPHMCQIKGHPRU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H14-N-O.I

Molecular Weight

  • 279.116
 
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Names and Synonyms

Synonyms

  • (m-Hydroxyphenyl)trimethylammonium iodide
  • 3-(Trimethylammonio)phenol iodide
  • 3-Hydroxy-N,N,N-trimethylbenzenaminium iodide
  • 3-Oxyphenyl trimethylammonium iodide
  • m-(Dimethylamino)phenol methiodide
  • TMPH

Systematic Names

  • Ammonium, (m-hydroxyphenyl)trimethyl-, iodide
  • Benzenaminium, 3-hydroxy-N,N,N-trimethyl-, iodide (9CI)

Registry Numbers

CAS Registry Number

  • 2498-27-3

Related Registry Number

  • 3483-84-9 (Parent)

System Generated Number

  • 0002498273

Molecular Formulas

Molecular Formula

  • C9-H14-N-O.I

Molecular Formula Fragments

  • C9-H14-N-O
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C9H13NO.HI/c1-10(2,3)8-5-4-6-9(11)7-8;/h4-7H,1-3H3;1H

InChIKey

KNPHMCQIKGHPRU-UHFFFAOYSA-N

Smiles

c1(cc(ccc1)O)[N+](C)(C)C.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 65mg/kg (65mg/kg)   Pharmaceutical Chemistry Journal Vol. 10, Pg. 327, 1976.
mouse LDLo intravenous 25mg/kg (25mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 43, Pg. 413, 1931.
mouse LDLo oral 200mg/kg (200mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 43, Pg. 413, 1931.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -2.68E+00 (none)   EXP
Water Solubility 1.00E+06 mg/L 25 EST
Vapor Pressure 3.38E-10 mm Hg 25 EST
Henry's Law Constant 6.89E-17 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.11E-11 cm3/molecule-sec 25 EST

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