Sinapine

CAS Registry Number®

18696-26-9

CAS Name

Sinapine

Molecular Formula

C16H24NO5

Cite this Page

Sinapine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=18696-26-9 (retrieved 2024-11-23) (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

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