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2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine Structure

2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine

Chemical Properties

Melting point 98°
Boiling point 439.76°C (rough estimate)
Density  1.1183 (rough estimate)
refractive index  1.6000 (estimate)
storage temp.  2-8°C
solubility  Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
pka 7.17±0.10(Predicted)
form  Solid
color  White
Merck  14,7493
InChI InChI=1S/C16H18N4O2/c1-4-17-16(18-5-1)20-8-6-19(7-9-20)11-13-2-3-14-15(10-13)22-12-21-14/h1-5,10H,6-9,11-12H2
InChIKey OQDPVLVUJFGPGQ-UHFFFAOYSA-N
SMILES C1(N2CCN(CC3=CC=C4OCOC4=C3)CC2)=NC=CC=N1
CAS DataBase Reference 3605-01-4(CAS DataBase Reference)

Safety Information

RTECS  UV9704000
HS Code  2933.59.8000
Toxicity LD50 in mice (mg/kg): 88 i.v., 690 i.p., 1460 orally (Laubie)

Usage And Synthesis

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