hydrogen carbonate,methyl-[3-(5-methylsulfanyl-1H-indol-3-yl)butan-2-yl]azanium

Names

[ CAS No. ]:
5490-56-2

[ Name ]:
hydrogen carbonate,methyl-[3-(5-methylsulfanyl-1H-indol-3-yl)butan-2-yl]azanium

[Synonym ]:
INDOLE,3-(3-METHYLAMINO-2-BUTYL)-5-METHYLTHIO-,BICARBONATE
3-(2'-Methylaminobutyl-3')-5-methylthioindole bicarbonate
HYDROXYFORMATE
N-methyl-3-[5-(methylsulfanyl)-1H-indol-3-yl]butan-2-aminium hydrogen carbonate
methyl-[3-(5-methylsulfanyl-1H-indol-3-yl)butan-2-yl]azanium

Chemical & Physical Properties

[ Boiling Point ]:
408.4ºC at 760 mmHg

[ Molecular Formula ]:
C15H22N2O3S

[ Molecular Weight ]:
310.41200

[ Flash Point ]:
200.8ºC

[ Exact Mass ]:
310.13500

[ PSA ]:
110.65000

[ LogP ]:
4.21450

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NM0400000
CHEMICAL NAME :
Indole, 3-(3-methylamino-2-butyl)-5-methylthio-, bicarbonate
CAS REGISTRY NUMBER :
5490-56-2
LAST UPDATED :
199012
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C14-H20-N2-S.C-H2-O3
MOLECULAR WEIGHT :
310.45
WISWESSER LINE NOTATION :
T56 BMJ DY1&Y1&M1 GS1 &..H2.C-O3

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
79 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#12436

Related Compounds

  • 2,2-Difluoro-3-[(pent-3-yn-1-yl)amino]propanoic acid
  • 2,2-Difluoro-3-[(2-methylbut-3-yn-2-yl)amino]propanoic acid
  • 2-(1-methyl-1H-pyrazol-3-yl)-6-oxo-3,6-dihydropyrimidine-4-carboxylic acid
  • 2-(1-methyl-1H-imidazol-5-yl)-6-oxo-3,6-dihydropyrimidine-4-carboxylic acid
  • 2-(2-Methyl-1,3-oxazol-4-yl)-6-oxo-3,6-dihydropyrimidine-4-carboxylic acid
  • 2-(2-Methyloxolan-2-yl)-6-oxo-3,6-dihydropyrimidine-4-carboxylic acid
  • 2-(3-Methylcyclopentyl)-6-oxo-3,6-dihydropyrimidine-4-carboxylic acid
  • 2-[Cyclopropyl(methoxy)methyl]-6-oxo-3,6-dihydropyrimidine-4-carboxylic acid
  • 1-(2-Methylpiperidin-4-yl)prop-2-yn-1-one
  • rac-1-[(2R,4R)-2-methylpiperidin-4-yl]prop-2-en-1-one
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