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Doxylamine Structure

Doxylamine

  • Product NameDoxylamine
  • CAS469-21-6
  • CBNumberCB6316736
  • MFC17H22N2O
  • MW270.37
  • EINECS207-414-2
  • MDL NumberMFCD00599469
  • MOL File469-21-6.mol

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

Symbol(GHS)  Exclamation Mark (GHS07)
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
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
REACH Registrations Active

Doxylamine Chemical Properties,Usage,Production

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