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[2-(Methacryloyloxy)Ethyl]Trimethylammonium Chloride

CAS: 5039-78-1 | C9H18ClNO2

2D Structure

3D Structure

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Basic Information

CAS Registry Number: 5039-78-1
Molecular Formula: C9H18ClNO2
Molecular Weight: 207.701 g/mol

Names and Synonyms:

[2-(Methacryloyloxy)Ethyl]Trimethylammonium Chloride
Ethanaminium, N,N,N-trimethyl-2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]-, chloride (1:1)
Ethanaminium, N,N,N-trimethyl-2-[(2-methyl-1-oxo-2-propenyl)oxy]-, chloride
Choline, chloride methacrylate
[2-(Methacryloyloxy)ethyl]trimethylammonium chloride
[(Methacryloyloxy)ethyl]trimethylammonium chloride
Trimethylammonioethyl methacrylate chloride
Dimethylaminoethyl methacrylate methochloride
Ageflex FM 1Q75MC
Sipomer Q 6-75
DMC 80
Light Ester DQ 100
2-Trimethylammonioethyl methacrylate chloride
QDM (quaternary compound)
QDM
Madquat MC 75
Pleximon 735
M-Quat
N,N,N-Trimethyl-N-(2-methacryloxyethyl)ammonium chloride
Acryester DMC
Mhoromer BM 606
TMAMA
Pleximon 760
Light Ester DQ 75
DQ 75
SMC 80H
TMAE-MC 80
DQ 100
Dimethylaminoethyl methacrylate methyl chloride
Methacroylcholine chloride
Ageflex FM 1Q80MC
2-Methacryloxyethyltrimethylammonium chloride
2-Dimethylaminoethyl methacrylate methyl chloride salt
Methacryloylethyltrimethylammonium chloride
Acryester DMC 78
2-Trimethylammoniumethyl methacrylate chloride
DMCMA
N,N,N-Trimethyl-2-(methacryloyloxy)ethylammonium chloride
N,N,N-Trimethyl-N-(2-methacryloyloxyethyl)ammonium chloride
2-Methyacryloxyethyltrimethylammonium chloride
2-(Methacroyloxy)ethyl trimethylammonium chloride
2-(Methacryloyloxy)-N,N,N-trimethylethanaminium chloride
Acryester DMC 80
2-Methacryloxyethyltrimethylammonuim chloride
Methacrylatoethyl trimethyl ammonium chloride

Identifiers:

SMILES:
C=C(C)C(=O)OCC[N+](C)(C)C.[Cl-]
InChI:
InChI=1S/C9H18NO2.ClH/c1-8(2)9(11)12-7-6-10(3,4)5;/h1,6-7H2,2-5H3;1H/q+1;/p-1

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Molecular

Property Value Source
Molecular Weight 207.701 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 207.102606496 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 13 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 2 count RDKit
Hydrogen Bond Donors 0 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 4 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 0 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 26.3 Ų RDKit

Physical Properties

Property Value Source
LogP -2.1840999999999955 RDKit
molecular_mass 207.70 g/mol Legacy Database
cas-canonical-smile [Cl-].O=C(OCC[N+](C)(C)C)C(=C)C None Legacy Database
cas-inchi InChI=1S/C9H18NO2.ClH/c1-8(2)9(11)12-7-6-10(3,4)5;/h1,6-7H2,2-5H3;1H/q+1;/p-1 None Legacy Database
cas-inchi-key InChIKey=RRHXZLALVWBDKH-UHFFFAOYSA-M None Legacy Database
cas-name [2-(Methacryloyloxy)ethyl]trimethylammonium chloride None Legacy Database

Molar

Property Value Source
Molar Refractivity 48.67240000000003 RDKit

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