Thiamine-[13C4].Hydrochloride
- Product NameThiamine-[13C4].Hydrochloride
- CAS1257525-77-1
- MFC12H17N4OS.ClH.Cl
- MW341.24
- EINECS
- MOL File1257525-77-1.mol
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 Information
| WGK Germany | WGK 1 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 |