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

  • rac-methyl 3-[(1R,2S)-2-aminocyclopropyl]-4-methoxybenzoate
  • 2-Cyclopropyl-4,5-dimethyl-6-{[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methoxy}pyrimidine
  • 1-(3-Bromophenyl)-4-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperazine
  • 1-[(3-Methyl-1,2,4-oxadiazol-5-yl)methyl]-4-(propane-2-sulfonyl)piperazine
  • 2-[4-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-4-(pyridin-3-yl)pyrimidine
  • 5-cyclopropyl-3-({6H,7H,8H,9H-pyrido[2,3-b]1,6-naphthyridin-7-yl}methyl)-1,2-oxazole
  • 3,4-difluoro-N-[(4-hydroxy-3,4-dihydro-1H-2-benzothiopyran-4-yl)methyl]benzamide
  • Ergosta-7,23-dien-3-ol, (3I(2),5I+/-,23E)-
  • 9-ethyl-6-[4-(7-methyl-7H-purin-6-yl)piperazin-1-yl]-9H-purine
  • (1R)-1-[2-fluoro-5-nitro-3-(trifluoromethyl)phenyl]ethan-1-amine