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

Modify Date: 2025-09-24 17:42:21

2-[4-[2-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]pyrimidine,dihydrochloride Structure
2-[4-[2-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]pyrimidine,dihydrochloride structure
 Common Name 2-[4-[2-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]pyrimidine,dihydrochloride
CAS Number 21279-52-7 Molecular Weight 385.28800
Density N/A Boiling Point 487ºC at 760 mmHg
Molecular Formula C17H22Cl2N4O2 Melting Point N/A
MSDS N/A Flash Point 248.3ºC

 Names

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

 Chemical & Physical Properties

Boiling Point 487ºC at 760 mmHg
Molecular Formula C17H22Cl2N4O2
Molecular Weight 385.28800
Flash Point 248.3ºC
Exact Mass 384.11200
PSA 50.72000
LogP 3.17690
Vapour Pressure 1.23E-09mmHg at 25°C
InChIKey FBPQSBHEZNDTBB-UHFFFAOYSA-N
SMILES Cl.Cl.c1cnc(N2CCN(CCc3ccc4c(c3)OCO4)CC2)nc1

 Toxicological Information

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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Chemsrc provides CAS#:21279-52-7 MSDS, density, melting point, boiling point, structure, etc. Its name is 2-[4-[2-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]pyrimidine,dihydrochloride>> amp version: 2-[4-[2-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]pyrimidine,dihydrochloride

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