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Aromatic building blocks

Sinapine hydroxide

Also known as Sinapine (hydroxide), 2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxyethyl-trimethylazanium, hydroxide

CAS 122-30-5Formula C16H25NO6Molar mass 327.38 g/mol
1 supplier listed
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Sinapine hydroxide chemical structure, C16H25NO6, CAS 122-30-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
122-30-5
Formula
C16H25NO6
Molar mass
327.38 g/mol
HS code
292310
Category
Aromatic building blocks

What is Sinapine hydroxide?

Plain description, key identifiers and synonyms

Sinapine hydroxide is a chemical substance with the molecular formula C16H25NO6 and a molar mass of 327.38 g/mol. Its CAS registry number is 122-30-5. The IUPAC name is 2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxyethyl-trimethylazanium hydroxide.

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 hydroxide
CAS number
122-30-5
Molecular formula
C16H25NO6
InChIKey
NOZUYJMVDJBABT-UHFFFAOYSA-N
InChI
InChI=1S/C16H23NO5.H2O/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;1H2
Canonical SMILES
COc1cc(C=CC(=O)OCC[N+](C)(C)C)cc(OC)c1O.[OH-]
Isomeric SMILES
C[N+](C)(C)CCOC(=O)/C=C/C1=CC(=C(C(=C1)OC)O)OC.[OH-]

Synonyms

  • Sinapine (hydroxide)
  • 2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxyethyl-trimethylazanium, hydroxide

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
327.38 g/molcalc.
Exact mass
327.1682 Dacalc.
LogP (octanol/water)
1.5calc.
Topological polar surface area
94.99 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
7calc.
Heavy atoms
23calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.44calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
2calc.
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 hydroxide suppliers

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Where suppliers are based

1 supplier in 1 country

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Sinapine hydroxide price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

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 hydroxide 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 hydroxide is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Sinapine hydroxide?

Sinapine hydroxide is a chemical substance with the molecular formula C16H25NO6 and a molar mass of 327.38 g/mol. Its CAS registry number is 122-30-5. The IUPAC name is 2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxyethyl-trimethylazanium hydroxide.

What is the CAS number of Sinapine hydroxide?

The CAS registry number of Sinapine hydroxide is 122-30-5.

What is the molecular formula and weight of Sinapine hydroxide?

The molecular formula of Sinapine hydroxide is C16H25NO6 and its molar mass is 327.38 g/mol.

What is Sinapine hydroxide used for?

Known uses and roles of Sinapine hydroxide include building blocks in research and laboratory.

Is Sinapine hydroxide hazardous?

No GHS hazard classification for Sinapine hydroxide 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 hydroxide?

Sinapine hydroxide 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 hydroxide?

CompoundList lists 1 supplier of Sinapine hydroxide in 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 hydroxide?

Suppliers quote Sinapine hydroxide 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 hydroxide

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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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