Sinapine
CAS Registry Number®
18696-26-9
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CAS Name
SinapineMolecular Formula
C16H24NO5Cite this Page
Sinapine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=18696-26-9 (retrieved ) (CAS RN: 18696-26-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
178 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C16H23NO5/c1-17(2,3)8-9-22-15(18)7-6-12-10-13(20-4)16(19)14(11-12)21-5/h6-7,10-11H,8-9H2,1-5H3/p+1
InChIKey
InChIKey=HUJXHFRXWWGYQH-UHFFFAOYSA-O
SMILES
C(=CC(OCC[N+](C)(C)C)=O)C1=CC(OC)=C(O)C(OC)=C1
Canonical SMILES
O=C(OCC[N+](C)(C)C)C=CC1=CC(OC)=C(O)C(OC)=C1
Other Names for this Substance
- Ethanaminium, 2-[[3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]oxy]-N,N,N-trimethyl-
- Choline, 4-hydroxy-3,5-dimethoxycinnamate (ester)
- Sinapine
- Ethanaminium, 2-[[3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]oxy]-N,N,N-trimethyl-
- Cinnamic acid, 4-hydroxy-3,5-dimethoxy-, choline ester
