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Acryloyloxyethyltrimethylammonium Chloride
CAS: 44992-01-0 | C8H16ClNO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
44992-01-0
Molecular Formula:
C8H16ClNO2
Molecular Mass:
193.67 g/mol
Names and Synonyms:
Acryloyloxyethyltrimethylammonium Chloride
Ethanaminium, N,N,N-trimethyl-2-[(1-oxo-2-propen-1-yl)oxy]-, chloride (1:1)
Ethanaminium, N,N,N-trimethyl-2-[(1-oxo-2-propenyl)oxy]-, chloride
[2-(Acryloyloxy)ethyl]trimethylammonium chloride
2-(Dimethylamino)ethyl acrylate methochloride
(Trimethylammonio)ethyl acrylate chloride
Ageflex FA 1Q80MC
Adamquat MC 80
Adamquat MC 75
Acryloyloxyethyltrimethylammonium chloride
Dimethylaminoethyl acrylate methyl chloride
DMA-MC
DME-B
N-(2-Acryloyloxyethyl)-N,N,N-trimethylammonium chloride
DMAEA-Q
2-Trimethylammonioethyl acrylate chloride
Acryloxyethyltrimethylammonium chloride
2-(N,N-Dimethylamino)ethyl acrylate methyl chloride
Ageflex FA 1Q80MC500
ADAME-Q
2-Trimethylammoniumethyl acrylate chloride
2-(Acryloyloxy)-N,N,N-trimethylethanaminium chloride
Acryloxyethyltrimethylammonuim chloride
DMA 3Q
ADAME-Quat
Identifiers:
SMILES:
C=CC(=O)OCC[N+](C)(C)C.[Cl-]
InChI:
InChI=1S/C8H16NO2.ClH/c1-5-8(10)11-7-6-9(2,3)4;/h5H,1,6-7H2,2-4H3;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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 193.67 g/mol | CAS Common Chemistry |
| 193.67399999999998 g/mol | RDKit | |
| 193.086956432 g/mol | RDKit | |
| Canonical SMILES | [Cl-].O=C(OCC[N+](C)(C)C)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C8H16NO2.ClH/c1-5-8(10)11-7-6-9(2,3)4;/h5H,1,6-7H2,2-4H3;1H/q+1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=FZGFBJMPSHGTRQ-UHFFFAOYSA-M | CAS Common Chemistry |
| Name | Acryloyloxyethyltrimethylammonium chloride | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | -2.5741999999999967 | RDKit |
| Molar Refractivity | 44.05540000000002 | RDKit |
