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

  • 2-(5-Bromothiophen-2-yl)propanal
  • Acetamide,n-(5-amino-3-methyl-2-pyridinyl)-2-(phenylmethoxy)-
  • 4-Amino-N,5-dimethyl-N-(1-methylpropyl)-2-thiophenecarboxamide
  • 7-Methoxy-2-(piperidin-4-ylmethoxy)-quinoline
  • 8-Fluoro-2-methoxyquinoline
  • (3-(9-Phenyl-9H-fluoren-9-yl)phenyl)boronic acid
  • 8-(3-Pyridinyl)-3,8-diazabicyclo[3.2.1]octane
  • 1-[(1-Aminocyclohexyl)methyl]-3-ethylurea
  • Diethyl (S)-1-(1-((tert-butoxycarbonyl)amino)propan-2-yl)-1H-pyrrolo[2,3-b]pyridine-2,6-dicarboxylate
  • [(3,5-Dimethylphenyl)methyl](2-methylpropyl)amine
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