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

Modify Date: 2025-09-19 18:58:31

4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine,dihydrochloride structure	Common Name	4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine,dihydrochloride
	CAS Number	21280-17-1	Molecular Weight	371.26200
	Density	N/A	Boiling Point	460.6ºC at 760 mmHg
	Molecular Formula	C₁₆H₂₀Cl₂N₄O₂	Melting Point	N/A
	MSDS	N/A	Flash Point	232.4ºC

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

Boiling Point	460.6ºC at 760 mmHg
Molecular Formula	C₁₆H₂₀Cl₂N₄O₂
Molecular Weight	371.26200
Flash Point	232.4ºC
Exact Mass	370.09600
PSA	50.72000
LogP	3.13440
Vapour Pressure	1.15E-08mmHg at 25°C
InChIKey	ZAYJWMXCGBNMDR-UHFFFAOYSA-N
SMILES	Cl.Cl.c1cc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)ncn1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UV9707000

CHEMICAL NAME :: Pyrimidine, 4-(4-piperonyl-1-piperazinyl)-, dihydrochloride

CAS REGISTRY NUMBER :: 21280-17-1

LAST UPDATED :: 198201

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C16-H18-N4-O2.2Cl-H

MOLECULAR WEIGHT :: 371.30

WISWESSER LINE NOTATION :: T56 BO DO CHJ G1- AT6N DNTJ D- DT6N CNJ &GH 2

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 :: 244 mg/kg

TOXIC EFFECTS :: Vascular - regional or general arteriolar or venous dilation

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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