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[2-(Methacryloyloxy)Ethyl]Trimethylammonium Chloride
CAS: 5039-78-1 | C9H18ClNO2
2D Structure
3D Structure
Loading 3D structure...
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
Synonym
Ethanaminium, N,N,N-trimethyl-2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]-, chloride (1:1)
Synonym
Ethanaminium, N,N,N-trimethyl-2-[(2-methyl-1-oxo-2-propenyl)oxy]-, chloride
Synonym
Choline, chloride methacrylate
Synonym
[2-(Methacryloyloxy)ethyl]trimethylammonium chloride
Synonym
[(Methacryloyloxy)ethyl]trimethylammonium chloride
Synonym
Trimethylammonioethyl methacrylate chloride
Synonym
Dimethylaminoethyl methacrylate methochloride
Synonym
Ageflex FM 1Q75MC
Synonym
Sipomer Q 6-75
Synonym
DMC 80
Synonym
Light Ester DQ 100
Synonym
2-Trimethylammonioethyl methacrylate chloride
Synonym
QDM (quaternary compound)
Synonym
QDM
Synonym
Madquat MC 75
Synonym
Pleximon 735
Synonym
M-Quat
Synonym
N,N,N-Trimethyl-N-(2-methacryloxyethyl)ammonium chloride
Synonym
Acryester DMC
Synonym
Mhoromer BM 606
Synonym
TMAMA
Synonym
Pleximon 760
Synonym
Light Ester DQ 75
Synonym
DQ 75
Synonym
SMC 80H
Synonym
TMAE-MC 80
Synonym
DQ 100
Synonym
Dimethylaminoethyl methacrylate methyl chloride
Synonym
Methacroylcholine chloride
Synonym
Ageflex FM 1Q80MC
Synonym
2-Methacryloxyethyltrimethylammonium chloride
Synonym
2-Dimethylaminoethyl methacrylate methyl chloride salt
Synonym
Methacryloylethyltrimethylammonium chloride
Synonym
Acryester DMC 78
Synonym
2-Trimethylammoniumethyl methacrylate chloride
Synonym
DMCMA
Synonym
N,N,N-Trimethyl-2-(methacryloyloxy)ethylammonium chloride
Synonym
N,N,N-Trimethyl-N-(2-methacryloyloxyethyl)ammonium chloride
Synonym
2-Methyacryloxyethyltrimethylammonium chloride
Synonym
2-(Methacroyloxy)ethyl trimethylammonium chloride
Synonym
2-(Methacryloyloxy)-N,N,N-trimethylethanaminium chloride
Synonym
Acryester DMC 80
Synonym
2-Methacryloxyethyltrimethylammonuim chloride
Synonym
Methacrylatoethyl trimethyl ammonium chloride
Synonym
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 |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| cas-name | [2-(Methacryloyloxy)ethyl]trimethylammonium chloride None | Legacy Database |
| 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 |
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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 48.67240000000003 | RDKit |