2-n-BUTYL-3-DIMETHYLAMINO-5,6-METHYL-ENE DIOXYINDENE HYDROCHLORIDE

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Names

[ CAS No. ]:
51003-83-9

[ Name ]:
2-n-BUTYL-3-DIMETHYLAMINO-5,6-METHYL-ENE DIOXYINDENE HYDROCHLORIDE

[Synonym ]:
2-Butyl-5,6-methylenedioxyindene-1-dimethylammonium hydrochloride
2-n-Butyl-3-dimethylamino-5,6-methylenedioxyindenehydrochloride
bu-MDI
bu-MDI HCl

Chemical & Physical Properties

[ Density]:
1.13g/cm3

[ Boiling Point ]:
367.6ºC at 760 mmHg

[ Molecular Formula ]:
C16H22ClNO2

[ Molecular Weight ]:
295.80400

[ Flash Point ]:
126.5ºC

[ Exact Mass ]:
295.13400

[ PSA ]:
21.70000

[ LogP ]:
4.40720

[ Index of Refraction ]:
1.581

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NK8926000
CHEMICAL NAME :
5H-Indeno(5,6-d)-1,3-dioxole, 6-butyl-5-dimethylamino-, hydrochloride
CAS REGISTRY NUMBER :
51003-83-9
LAST UPDATED :
199606
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C16-H21-N-O2.Cl-H
MOLECULAR WEIGHT :
295.84
WISWESSER LINE NOTATION :
T C565 DO FO EH JHJ JN1&1 K4 &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
240 mg/kg
TOXIC EFFECTS :
Gastrointestinal - decreased motility or constipation
REFERENCE :
RCOCB8 Research Communications in Chemical Pathology and Pharmacology. (PJD Pub. Ltd., P.O. Box 966, Westbury, NY 11590) V.1- 1970- Volume(issue)/page/year: 26,85,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
185 mg/kg
TOXIC EFFECTS :
Gastrointestinal - decreased motility or constipation
REFERENCE :
RCOCB8 Research Communications in Chemical Pathology and Pharmacology. (PJD Pub. Ltd., P.O. Box 966, Westbury, NY 11590) V.1- 1970- Volume(issue)/page/year: 26,85,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
32 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - changes in motor activity (specific assay) Gastrointestinal - decreased motility or constipation
REFERENCE :
RCOCB8 Research Communications in Chemical Pathology and Pharmacology. (PJD Pub. Ltd., P.O. Box 966, Westbury, NY 11590) V.1- 1970- Volume(issue)/page/year: 26,85,1979 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
735 mg/kg/4W-I
TOXIC EFFECTS :
Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - dehydrogenases
REFERENCE :
RCOCB8 Research Communications in Chemical Pathology and Pharmacology. (PJD Pub. Ltd., P.O. Box 966, Westbury, NY 11590) V.1- 1970- Volume(issue)/page/year: 26,85,1979
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
647 mg/kg/2W-I
TOXIC EFFECTS :
Related to Chronic Data - death
REFERENCE :
RCOCB8 Research Communications in Chemical Pathology and Pharmacology. (PJD Pub. Ltd., P.O. Box 966, Westbury, NY 11590) V.1- 1970- Volume(issue)/page/year: 26,85,1979

Related Compounds

  • 5-[4-(Benzyloxy)-2,6-difluorophenyl]pyridine-2-carbaldehyde
  • 2-cyclopropyl-5-(3,6-dihydro-2H-pyran-4-yl)pyridine
  • 2-Cyclopropyl-5-(3-ethoxy-2-fluorophenyl)pyridine
  • 5-fluoro-2-(5-methyl-1H-indazol-4-yl)pyridin-3-amine
  • 7-methyl-4-(1-methyl-1H-1,2,3-triazol-5-yl)-2,3-dihydro-1H-indole
  • 3-Amino-2,4-dimethylbenzene-1-sulfonyl fluoride
  • 2,3-difluoro-6-(2-isocyanatoethyl)-N,N-dimethylaniline
  • 2-Amino-3-[2-(dimethylamino)-3,4-difluorophenyl]propanoic acid
  • (2S)-4-(1H-1,2,3,4-tetrazol-1-yl)butan-2-ol
  • 5-(1,2-dimethyl-1H-indol-3-yl)-1,3-oxazolidin-2-one
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