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Thiamine chloride Structure

Thiamine chloride

Chemical Properties

Melting point 248 °C (decomp)
Density  1.3175 (rough estimate)
refractive index  1.5630 (estimate)
storage temp.  Keep in dark place,Inert atmosphere,Room temperature
solubility  DMSO : 6 mg/mL (19.95 mM)
InChI InChI=1S/C12H17N4OS.ClH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);1H/q+1;/p-1
InChIKey MYVIATVLJGTBFV-UHFFFAOYSA-M
SMILES O([H])CCC1=C(C)[N+](=CS1)CC1C=NC(=NC=1N)C.[Cl-]
LogP -3.930 (est)
CAS DataBase Reference 59-43-8(CAS DataBase Reference)
EPA Substance Registry System Thiamine (59-43-8)

Safety Information

Hazardous Substances Data 59-43-8(Hazardous Substances Data)

MSDS

Usage And Synthesis

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