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Aromatic building blocks

Sinapine

Also known as Sinapoylcholine, O-sinapoylcholine, Sinapine bisulphate

CAS 18696-26-9Formula C16H24NO5+Molar mass 310.37 g/mol
2 suppliers listed
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Sinapine chemical structure, C16H24NO5+, CAS 18696-26-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
18696-26-9
Formula
C16H24NO5+
Molar mass
310.37 g/mol
HS code
292310
Category
Aromatic building blocks

What is Sinapine?

Plain description, key identifiers and synonyms

Sinapine is an acylcholine in which the acyl group specified is sinapoyl. It has a role as an antioxidant, a photosynthetic electron-transport chain inhibitor and a plant metabolite. It is functionally related to a trans-sinapic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxyethyl-trimethylazanium
CAS number
18696-26-9 CAS number cross-checkedOther or deprecated CAS: 84123-22-8
Molecular formula
C16H24NO5+
UNII
09211A0HHL
MDL number
MFCD09837796
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
Canonical SMILES
COc1cc(C=CC(=O)OCC[N+](C)(C)C)cc(OC)c1O
Isomeric SMILES
C[N+](C)(C)CCOC(=O)/C=C/C1=CC(=C(C(=C1)OC)O)OC

Synonyms

  • Sinapoylcholine
  • O-sinapoylcholine
  • Sinapine bisulphate
  • sinapin
  • Sinapine cation
  • trans-Sinapine
  • Sinapine ion
  • 4-Hydroxy-3,5-dimethoxycinnamate choline
  • Ethanaminium, 2-((3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl)oxy)-N,N,N-trimethyl-
  • Choline, 4-hydroxy-3,5-dimethoxycinnamate (ester)
  • 2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxyethyl-trimethylazanium
  • Cinnamic acid, 4-hydroxy-3,5-dimethoxy-, choline ester
  • 2-((3-(4-Hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl)oxy)-N,N,N-trimethylethanaminium
  • Ethanaminium, 2-(((2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl)oxy)-N,N,N-trimethyl-
  • 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
  • 2-(3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy)ethyl-trimethylazanium
  • 2-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]ethyl-trimethylazanium
  • 2-((2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy)-N,N,N-trimethylethanaminium
  • 2-((E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl)oxyethyl-trimethylazanium
  • trans-Sinapoylcholine
  • 2-((3-(4-Hydroxy-3,5-dimethoxyphenyl)acryloyl)oxy)-N,N,N-trimethylethan-1-aminium
  • 2-(4-hydroxy-3,5-dimethoxycinnamoyloxy)-N,N,N-trimethylethanaminium
  • 2-((3-(4-Hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl)oxy)-N,N,N-trimethylethanaminium
  • ACon1_000255
Show all 29 synonyms
  • Choline 4-hydroxy-3,5-dimethoxycinnamate, 8CI
  • (E)-2-((3-(4-hydroxy-3,5-dimethoxyphenyl)acryloyl)oxy)-N,N,N-trimethylethan-1-aminium
  • 2-[[3-(4-Hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]oxy]-N,N,N- trimethylethanaminium, 9CI
  • 2-{[(2E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}-N,N,N-trimethylethan-1-aminium

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
310.37 g/molcalc.
Exact mass
310.1649 Dacalc.
LogP (octanol/water)
1.67calc.
Topological polar surface area
64.99 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
7calc.
Heavy atoms
22calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.44calc.
Formal charge
1calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccccc1

c1ccccc1

1 ring, 6 atoms, the Benzene ring system.

485,677 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Sinapine suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 2 suppliers
  • NeoMPS SA
    FranceUnclaimed profile
    SinapineGrade, purity and minimum order on request
    Price on request
    View
  • ChemFaces
    China, WuhanUnclaimed profile
    SinapineGrade, purity and minimum order on request
    Price on request
    View

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

2 suppliers in 2 countries

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Sinapine price

Indicative price range per kg from live supplier offers

No published prices right now

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Uses and applications

What the substance is used for, by industry and function

Roles

  • antioxidant
  • electron-transport chain inhibitor
  • enzyme inhibitor
  • eukaryotic metabolite
  • herbicide
  • metabolite
  • pathway inhibitor
  • pesticide
  • photosynthetic electron-transport chain inhibitor
  • plant metabolite

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Sinapine is traded under.

HS 2923.10Indicative HS code

Choline and its salts

World exports in 2024
$230M
−6.6% vs 2023, imports $332M
2019 to 2024
Top exporters
  1. China53.1%
  2. Belgium18.3%
  3. United States9.7%
Top importers
  1. South Korea23.6%
  2. Argentina7.3%
  3. United States7.0%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Sinapine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Sinapine, based on the data on this page

What is Sinapine?

Sinapine is an acylcholine in which the acyl group specified is sinapoyl. It has a role as an antioxidant, a photosynthetic electron-transport chain inhibitor and a plant metabolite. It is functionally related to a trans-sinapic acid.

What is the CAS number of Sinapine?

The CAS registry number of Sinapine is 18696-26-9. Other or deprecated CAS numbers: 84123-22-8.

What is the molecular formula and weight of Sinapine?

The molecular formula of Sinapine is C16H24NO5+ and its molar mass is 310.37 g/mol.

What is Sinapine used for?

Known uses and roles of Sinapine include building blocks in research and laboratory, antioxidant, electron-transport chain inhibitor, enzyme inhibitor, eukaryotic metabolite and 6 more.

Is Sinapine hazardous?

No GHS hazard classification for Sinapine is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Sinapine?

Sinapine is usually classified under HS code 292310 (Choline and its salts). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Sinapine?

CompoundList lists 2 suppliers of Sinapine in China and France. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Sinapine?

Suppliers quote Sinapine on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Sinapine

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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