2-[4-[2-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]pyrimidine,dihydrochloride

名称

[ CAS 号 ]:
21279-52-7

[ 英文名 ]:
2-[4-[2-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]pyrimidine,dihydrochloride

物理化学性质

[ 沸点 ]:
487ºC at 760 mmHg

[ 分子式 ]:
C17H22Cl2N4O2

[ 分子量 ]:
385.28800

[ 闪点 ]:
248.3ºC

[ 精确质量 ]:
384.11200

[ PSA ]:
50.72000

[ LogP ]:
3.17690

[ 蒸汽压 ]:
1.23E-09mmHg at 25°C

毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UV9334000
CHEMICAL NAME :
Pyrimidine, 2-(4-(3,4-(methylenedioxy)phenethyl)-1-piperazinyl)-, dihydrochloride, hydrate
CAS REGISTRY NUMBER :
21279-52-7
LAST UPDATED :
198612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C17-H20-N4-O2.2Cl-H.H2-O
MOLECULAR WEIGHT :
402.34
WISWESSER LINE NOTATION :
T56 BO DO CHJ G2- AT6N DNTJ D- BT6N CNJ &GH 2 &QH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
400 mg/kg
TOXIC EFFECTS :
Behavioral - analgesia Biochemical - Metabolism (Intermediary) - effect on inflammation or mediation of inflammation
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 11,1151,1968
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相关化合物

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