Home > Name List By 2 > 2-[(E)-3-(4-hydroxy-3, 5-dimethoxyphenyl)prop-2-enoyl]oxyethyl-trimethylazanium

CAS No 18696-26-9 , 2-[(E)-3-(4-hydroxy-3,
5-dimethoxyphenyl)prop-2-enoyl]oxyethyl-trimethylazanium

  • Name: 2-[(E)-3-(4-hydroxy-3,
    5-dimethoxyphenyl)prop-2-enoyl]oxyethyl-trimethylazanium
  • Synonyms: AG-E-36088; 18696-26-9;Sinapoylcholine; sinapic acid choline ester; AC1NQWZ5;2-[(E)-3-(4-hydroxy-3,
    5-dimethoxyphenyl)prop-2-enoyl]oxyethyl-trimethylazanium; SureCN424529; O-sinapoylcholine; Sinapine bisulphate;
  • CAS Registry Number:
  • Melting Point: 171.0-173.5oC (dec.)
  • Flash Point: °C
  • Boiling Point: °Cat760mmHg
  • Density: g/cm3
  • Water Solubility: soluble in water, ethanol; insoluble in hexane, toluene, acetone.
  • Flash Point: °C
  • Molecular Weight: 310.36546
  • InchiKey: HUJXHFRXWWGYQH-UHFFFAOYSA-O
  • 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
  • Molecular Formula: C16H24NO5+
  • Molecular Structure:CAS No:18696-26-9 2-[(E)-3-(4-hydroxy-3,<br />5-dimethoxyphenyl)prop-2-enoyl]oxyethyl-trimethylazanium

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References of 2-[(E)-3-(4-hydroxy-3,
5-dimethoxyphenyl)prop-2-enoyl]oxyethyl-trimethylazanium
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
Synonyms: 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: Sp?th, 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)