trimethyl-[4-(methylcarbamoyloxy)-2-propan-2-yl-phenyl]azanium iodide

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Names

[ CAS No. ]:
5439-96-3

[ Name ]:
trimethyl-[4-(methylcarbamoyloxy)-2-propan-2-yl-phenyl]azanium iodide

[Synonym ]:
2-isopropyl-tri-N-methyl-4-methylcarbamoyloxy-anilinium,iodide
2-Isopropyl-tri-N-methyl-4-methylcarbamoyloxy-anilinium,Jodid
ITX
2-Isopropyl-thioxanthene-9-on
isopropylthioxanthone
2-Isopropyl-9H-thioxanthen-9-one
Quantacure itx
2-isopropyl-thioxanthen-9-one
Speedcure ITX
2-isopropyl thioxanthone

Chemical & Physical Properties

[ Molecular Formula ]:
C14H23IN2O2

[ Molecular Weight ]:
378.24900

[ Exact Mass ]:
378.08000

[ PSA ]:
38.33000

[ LogP ]:
0.11980

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
BR0846000
CHEMICAL NAME :
Ammonium, (4-hydroxy-o-cumenyl)trimethyl-, iodide, methylcarbamate
CAS REGISTRY NUMBER :
5439-96-3
LAST UPDATED :
199012
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C14-H23-N2-O2.I
MOLECULAR WEIGHT :
378.29
WISWESSER LINE NOTATION :
1Y1&R COVM1 FK1&1&1 &Q &I

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
67 ug/kg
TOXIC EFFECTS :
Behavioral - coma Lungs, Thorax, or Respiration - respiratory stimulation Gastrointestinal - changes in structure or function of salivary glands
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: PB158-508

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • methyl-carbamic acid-(4-dimethylamino-3-isopropyl-phenyl ester)
  • methyl iodide

DownStream

  • (4-hydroxy-2-propan-2-ylphenyl)-trimethylazanium,iodide

Related Compounds

  • 1-{[(4-Methylphenyl)amino]methyl}cyclohexan-1-ol
  • 1-{[(2-Methylphenyl)amino]methyl}cyclohexan-1-ol
  • 1-[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]ethan-1-one
  • 4-methyl-N-(5-methylhexan-2-yl)pyridin-3-amine
  • 4-methyl-N-(3-methylpentan-2-yl)pyridin-3-amine
  • 4-Methyl-N-((3-methyl-1H-pyrazol-4-yl)methyl)pyridin-3-amine
  • 4-methyl-N-(thiophen-2-ylmethyl)pyridin-3-amine
  • 4-Methyl-N-((1-methyl-1H-pyrazol-5-yl)methyl)pyridin-3-amine
  • N-(cyclopropylmethyl)-4-methylpyridin-3-amine
  • 4-methyl-N-(pyrimidin-5-ylmethyl)pyridin-3-amine
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