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Doxylamine Structure

Doxylamine

Chemical Properties

Melting point 111 °C
Boiling point bp0.5 137-141°
Density  1.0023 (rough estimate)
refractive index  1.5486 (estimate)
storage temp.  -20°C Freezer, Under inert atmosphere
solubility  Acetonitrile (Slightly), Chloroform (Slightly), Methanol (Slightly)
pka pKa 9.20(H2O t = 25 c = 0.002–0.01) (Uncertain);4.4 (Uncertain);9.2 (Uncertain)
form  powder to crystal
color  White to Almost white
Stability Temperature Sensitive
InChI InChI=1S/C17H22N2O/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16/h4-12H,13-14H2,1-3H3
InChIKey HCFDWZZGGLSKEP-UHFFFAOYSA-N
SMILES C(N(C)C)COC(C1=CC=CC=C1)(C1=NC=CC=C1)C
EPA Substance Registry System Doxylamine (469-21-6)

Safety Information

Hazardous Substances Data 469-21-6(Hazardous Substances Data)
Toxicity An antihistamine that formerly was used in pregnant women for antihistaminic and sedative properties. Although it has excellent sedative properties, it has been implicated in teratogenesis and in causing neurobehavioral toxicity and is therefore no longer used

Usage And Synthesis

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Doxylamine manufacturers