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21484-38-8

21484-38-8结构式
21484-38-8结构式

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英文名 3-(azepan-1-yl)-1-(1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propan-1-one,hydrochloride
英文别名 1-Propanone,3-(hexahydro-1H-azepin-1-yl)-1-(1,4,5,6-tetrahydro-1-phenyl-3-cyclopentapyrazolyl)-,monohydrochloride
Poli 95
3-(azepan-1-yl)-1-(1-phenyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)propan-1-one hydrochloride(1:1)
分子式 C21H28ClN3O
分子量 373.92000
精确质量 373.19200
PSA 38.13000
LogP 4.54970
蒸汽压 3.3E-11mmHg at 25°C

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UC2770000
CHEMICAL NAME :
1-Propanone, 3-(hexahydro-1H-azepin-1-yl)-1-(1,4,5,6-tetrahydro-1- phenyl-3- cyclopentapyrazolyl)-, monohydrochloride
CAS REGISTRY NUMBER :
21484-38-8
LAST UPDATED :
198208
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C21-H27-N3-O.Cl-H
MOLECULAR WEIGHT :
373.97
WISWESSER LINE NOTATION :
T55 BNN&TJ BR& DV2- AT7NTJ &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
350 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 109,679,1970