2-{[(2E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-propenoyl]oxy}-N,N,N-trimethylethanaminium

Basic Information

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CAS Number

18696-26-9

Molecular Formula

C16H24NO5

Molecular Weight

310.36 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Melting Point

178 ºC

Solubility

6398 mg/L @ 25 °C (est)

SMILES

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C[N+](C)(C)CCOC(=O)C=CC1=CC(=C(C(=C1)OC)O)OC

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

HUJXHFRXWWGYQH-UHFFFAOYSA-O

LogP

1.67200

Complexity

363

Safety Information

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Storage Conditions

N/A

Synonyms & References

English

2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxyethyl-trimethylazanium
NS00097137
trans-Sinapoylcholine
Choline, 4-hydroxy-3,5-dimethoxycinnamate (ester)
s3235
18696-26-9
Ethanaminium, 2-((3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl)oxy)-N,N,N-trimethyl-
2-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]-N,N,N-trimethylethanaminium
AC-34366
2-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]ethyl-trimethylazanium
Sinapine
Ethanaminium, 2-(((2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl)oxy)-N,N,N-trimethyl-
2-(4-hydroxy-3,5-dimethoxycinnamoyloxy)-N,N,N-trimethylethanaminium
Sinapine ion
trans-Sinapine
CHEBI:16353
4-Hydroxy-3,5-dimethoxycinnamate choline
ACon1_000255
MEGxp0_001763
sinapin
DTXSID10171957
Choline 4-hydroxy-3,5-dimethoxycinnamate, 8CI
O-sinapoylcholine
AKOS030626997
Sinapoylcholine
2-((3-(4-Hydroxy-3,5-dimethoxyphenyl)acryloyl)oxy)-N,N,N-trimethylethan-1-aminium
BRD-K21295184-064-01-0
Q891772
2-((3-(4-Hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl)oxy)-N,N,N-trimethylethanaminium
Sinapine cation
Sinapine thiocyanate

MDL Number

MFCD09837796

FAQ

What regulatory guidelines apply to 2-{[(2E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-propenoyl]oxy}-N,N,N-trimethylethanaminium (CAS: 18696-26-9)?

This compound falls under the regulatory guidelines of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations for European Union, and may require FDA/EPA registration for use in the United States. It is important to ensure compliance with local and national regulations regarding the handling, storage, and disposal of this chemical.

Are there alternatives to 2-{[(2E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-propenoyl]oxy}-N,N,N-trimethylethanaminium (CAS: 18696-26-9) in synthesis?

Synthesizers often explore alternatives like 2-{[(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}-N,N,N-trimethylethanaminium or similar compounds with slight structural modifications. These alternatives can serve as effective substitutes in various synthetic pathways.

What is the market or research trend for 2-{[(2E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-propenoyl]oxy}-N,N,N-trimethylethanaminium (CAS: 18696-26-9)?

The compound is increasingly being studied in the pharmaceutical and fine chemical industries. Research trends indicate growing interest in its potential applications in drug discovery and development, with a focus on its specific chemical properties and interactions.

How should waste containing 2-{[(2E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-propenoyl]oxy}-N,N,N-trimethylethanaminium (CAS: 18696-26-9) be handled?

Waste containing this compound should be collected in appropriate containers, labeled, and disposed of according to local regulations. Incineration or professional waste disposal services are recommended to ensure safe and environmentally friendly disposal. Always follow proper safety precautions and consult with local authorities for specific disposal guidelines.