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

  • 6-Isopropyl-2-(2-(phenylthio)acetamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide hydrochloride
  • 6-Ethyl-2-(2-((4-fluorophenyl)thio)acetamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide hydrochloride
  • 2-(2-((4-Fluorophenyl)thio)acetamido)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide hydrochloride
  • 6-Isopropyl-2-(4-(methylthio)benzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide hydrochloride
  • 6-Benzyl-2-(3-(methylsulfonyl)benzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide hydrochloride
  • 6-(3-bromophenethyl)-2-amino-5,6-dihydro-3,6-dimethylpyrimidin-4(3H)-one
  • 2-((2-Hydroxyethyl)amino)-4-oxo-4-(pyridin-3-ylamino)butanoic acid
  • N-(benzo[d][1,3]dioxol-5-yl)-2-(5-((2-fluorobenzyl)oxy)-2-methyl-4-oxopyridin-1(4H)-yl)acetamide
  • N-(2,5-dimethoxyphenyl)-2-{5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1,4-dihydropyridin-1-yl}acetamide
  • N-(3,4-dimethoxyphenyl)-2-(5-((4-fluorobenzyl)oxy)-2-methyl-4-oxopyridin-1(4H)-yl)acetamide
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