Benzyl alcohol, 3,4-dihydroxy-.alpha.-[[[.alpha.-methyl-3, 4- (methylenedioxy)phenethyl]amino]methyl]-, hydrochloride

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Names

[ CAS No. ]:
136-69-6

[ Name ]:
Benzyl alcohol, 3,4-dihydroxy-.alpha.-[[[.alpha.-methyl-3, 4- (methylenedioxy)phenethyl]amino]methyl]-, hydrochloride

[Synonym ]:
4-[2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]-1-hydroxyethyl]benzene-1,2-diol,hydrochloride

Chemical & Physical Properties

[ Density]:
1.336g/cm3

[ Boiling Point ]:
585ºC at 760 mmHg

[ Molecular Formula ]:
C18H22ClNO5

[ Molecular Weight ]:
367.82400

[ Flash Point ]:
307.6ºC

[ Exact Mass ]:
367.11900

[ PSA ]:
91.18000

[ LogP ]:
3.27360

[ Vapour Pressure ]:
1.57E-14mmHg at 25°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DO3502500
CHEMICAL NAME :
Benzyl alcohol, 3,4-dihydroxy-alpha-(((alpha-methyl-3,4-(methylenedio xy)phenethyl)amino) methyl)-, hydrochloride
CAS REGISTRY NUMBER :
136-69-6
LAST UPDATED :
198809
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C18-H21-N-O5.Cl-H
MOLECULAR WEIGHT :
367.86
WISWESSER LINE NOTATION :
T56 BO DO CHJ G1Y1&M1YQR CQ DQ &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
865 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 13,51,1963
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
71 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 13,51,1963
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
785 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 13,51,1963
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
254 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 13,51,1963
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
86500 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 13,51,1963
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
20 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 13,51,1963
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
1 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 13,51,1963
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
39 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 13,51,1963

Related Compounds

  • 5-Bromo-3-(2,2-difluoroethyl)-6-(pyridin-2-yl)-3,4-dihydropyrimidin-4-one
  • 1-(4-Bromo-2-ethoxyphenyl)-2,2-dichloroethanol
  • (2S)-2-[(2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)pentanamido]butanoic acid
  • 7-(3-chloro-4-methylphenyl)-2-(cyclopentylmethyl)-2H,3H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
  • N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-methoxy-5-(propan-2-yl)benzene-1-sulfonamide
  • 3-[4-(5-bromo-3-chloropyridin-2-yl)piperazin-1-yl]-6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridazine
  • 7-(4-chlorophenyl)-3-(propylsulfanyl)-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
  • 4-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2,5-dimethoxybenzene-1-sulfonamide
  • N-benzyl-2-[4-(2,4-difluorophenyl)piperazin-1-yl]acetamide
  • 1-(5-tert-butyl-2-propoxybenzenesulfonyl)-2-methyl-5-nitro-1H-imidazole
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