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2-(Methacryloyloxy)-N,N,N-trimethylethanaminium Methyl Sulfate - >98.0%(T), high purity , CAS No.6891-44-7

COA

Grade & Purity:

≥98%

Cas Number: 6891-44-7
Molecular Weight: 283.34
MDL number: MFCD00078263
PubChem CID: 81318

In stock

Item Number

M404762

Grouped product items
SKU	Size	Availability	Price
M404762-1g	1g	3	$14.90
M404762-5g	5g	3	$49.90
M404762-25g	25g	2	$169.90

Basic Description

Synonyms	M3306 \| methacryloylcholine methyl sulfate \| MFCD00078263 \| 2-(Methacryloyloxy)-N,N,N-trimethylethanaminiummethylsulfate \| (2-(Methacryloyloxy)ethyl)trimethylammonium methyl sulphate \| (2-(METHACRYLOYLOXY)ETHYL)TRIMETHYLAMMONIUM METHYL SULFATE \| CHOLINE,
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Quaternary ammonium salts
      - Level5 Cholines
        Level6 Acyl cholines

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Quaternary ammonium salts
Intermediate Tree Nodes	Cholines
Direct Parent	Acyl cholines
Alternative Parents	Sulfuric acid monoesters Alkyl sulfates Tetraalkylammonium salts Enoate esters Monocarboxylic acids and derivatives Organopnictogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines
Molecular Framework	Not available
Substituents	Acyl choline - Sulfuric acid monoester - Sulfate-ester - Alkyl sulfate - Sulfuric acid ester - Organic sulfuric acid or derivatives - Tetraalkylammonium salt - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Amine - Organic salt - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as acyl cholines. These are acylated derivatives of choline. Choline or 2-Hydroxy-N,N,N-trimethylethanaminium is a quaternary ammonium salt with the chemical formula (CH3)3N+(CH2)2OH.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	methyl sulfate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
INCHI	InChI=1S/C9H18NO2.CH4O4S/c1-8(2)9(11)12-7-6-10(3,4)5;1-5-6(2,3)4/h1,6-7H2,2-5H3;1H3,(H,2,3,4)/q+1;/p-1
InChIKey	IHBKAGRPNRKYAO-UHFFFAOYSA-M
Smiles	CC(=C)C(=O)OCC[N+](C)(C)C.COS(=O)(=O)[O-]
Isomeric SMILES	CC(=C)C(=O)OCC[N+](C)(C)C.COS(=O)(=O)[O-]
Molecular Weight	283.34
Reaxy-Rn	9095360
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9095360&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
A2426227	Certificate of Analysis	Dec 22, 2023	M404762
A2426228	Certificate of Analysis	Dec 22, 2023	M404762
A2426229	Certificate of Analysis	Dec 22, 2023	M404762
A2426231	Certificate of Analysis	Dec 22, 2023	M404762
A2426230	Certificate of Analysis	Dec 22, 2023	M404762

Chemical and Physical Properties

Sensitivity	Air Sensitive,Hygroscopic,Heat Sensitive
Melt Point(°C)	85 °C
Molecular Weight	283.340 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	283.109 Da
Monoisotopic Mass	283.109 Da
Topological Polar Surface Area	101.000 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	270.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

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