Sinapine thiocyanate

Datasheet MSDS
Catalog Number
ANC04152
Product Name
Sinapine thiocyanate
CAS Number
7431-77-8
IUPAC Name
2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxyethyl-trimethylazanium;thiocyanate;hydrate
Synonyms
ethanaminium,2-\\3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl\oxy\-n,n,n-trimethyl-,thiocyanate(9ci); 2-((3-(4-Hydroxy-2,5-diMethoxyphenyl)acryloyl)oxy)-N,N,N-triMethylethanaMiniuMthiocyanate
Molecular Formula
C16H24NO5.CNS
Molecular Weight
368.45
Appearance
Powder
Purity
>98%
SMILES
C[N+](C)(C)CCOC(=O)/C=C/C1=CC(=C(C(=C1)OC)O)OC.C(#N)[S-].O
InChI
InChI=1S/C16H23NO5.CHNS.H2O/c1-17(2,3)8-9-22-15(18)7-6-12-10-13(20-4)16(19)14(11-12)21-5;2-1-3;/h6-7,10-11H,8-9H2,1-5H3;3H;1H2
InChI Key
FBRGYMCANVAEDA-UHFFFAOYSA-N
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