Structural Formula Vector Image
Title: Sinapine
CAS Registry Number: 18696-26-9
CAS Name: 2-[[3-(4-Hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]oxy]-N,N,N-trimethylethanaminium
Additional Names: sinapic acid choline ester
Molecular Formula: [C16H24NO5]+
Literature References: From black mustard seeds, the seeds of Brassica nigra Koch, Cruciferae. Extraction procedure: Remsen, Coale, Am. Chem. J. 6, 52 (1884). Synthesis: Späth, Monatsh. Chem. 41, 271 (1920).
Derivative Type: Chloride
Molecular Formula: (C16H24NO5)Cl
Molecular Weight: 345.82
Percent Composition: C 55.57%, H 7.00%, N 4.05%, O 23.13%, Cl 10.25%
Properties: Does not crystallize, very sol in water, alcohol.
Derivative Type: Bromide trihydrate
Molecular Formula: (C16H24NO5)Br.3H2O
Molecular Weight: 444.32
Percent Composition: C 43.25%, H 6.81%, N 3.15%, O 28.81%, Br 17.98%
Properties: Needles, mp 92°; mp 107-115° when anhydr, very sol in water.
Melting point: mp 92°; mp 107-115° when anhydr
Derivative Type: Iodide trihydrate
Molecular Formula: (C16H24NO5)I.3H2O
Molecular Weight: 491.32
Percent Composition: C 39.11%, H 6.15%, N 2.85%, O 26.05%, I 25.83%
Properties: Crystals, becomes anhydr over H2SO4, mp 179° (anhydr). Sparingly sol in water.
Melting point: mp 179° (anhydr)
Derivative Type: Acid sulfate trihydrate
Molecular Formula: (C16H24NO5)HSO4.3H2O
Molecular Weight: 461.48
Percent Composition: C 41.64%, H 6.77%, N 3.04%, O 41.60%, S 6.95%
Properties: Tablets, dec 127°; dec 187° when anhydr. Freely sol in water, hot alcohol; very sparingly sol in ether.
Derivative Type: Neutral sulfate pentahydrate
Molecular Formula: (C16H24NO5)2SO4.5H2O
Molecular Weight: 806.87
Percent Composition: C 47.63%, H 7.25%, N 3.47%, O 37.68%, S 3.97%
Properties: Tablets from hot alcohol, mp 193° (anhydr). Not very stable; very sol in water, sparingly in alcohol.
Melting point: mp 193° (anhydr)

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