1257525-77-1

Name Thiamine-[13C4].Hydrochloride
CAS 1257525-77-1
Molecular Formula C12H18Cl2N4OS
MDL Number MFCD17015237
Molecular Weight 341.305
MOL File 1257525-77-1.mol
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Chemical Properties

Melting point  250 °C (dec) (lit.)
storage temp.  -20°C
form  powder
color  white
InChI InChI=1S/C12H17N4OS.2ClH/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);2*1H/q+1;;/p-1/i6+1,7+1,10+1,12+1;;
InChIKey DPJRMOMPQZCRJU-DBRYMKMKSA-M
SMILES OCCC1=C(C)[N+](=[13CH]S1)[13CH2][13C]1C=NC(=N[13C]=1N)C.[Cl-].[H]Cl

Safety Data

WGK Germany  WGK 1
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2

Hazard Information

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