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Molecule
Acryloyloxyethyltrimethylammonium Chloride
CAS: 44992-01-0 · C8H16ClNO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 44992-01-0
- Molecular Formula
- C8H16ClNO2
- Molecular Mass
- 193.67 g/mol
Identifiers
CAS Registry Number
44992-01-0
SMILES
C=CC(=O)OCC[N+](C)(C)C.[Cl-]
InChI Key
FZGFBJMPSHGTRQ-UHFFFAOYSA-M
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
Names and Synonyms
- Acryloyloxyethyltrimethylammonium Chloride Common Name
- Ethanaminium, N,N,N-trimethyl-2-[(1-oxo-2-propen-1-yl)oxy]-, chloride (1:1) Synonym
- Ethanaminium, N,N,N-trimethyl-2-[(1-oxo-2-propenyl)oxy]-, chloride Synonym
- [2-(Acryloyloxy)ethyl]trimethylammonium chloride Synonym
- 2-(Dimethylamino)ethyl acrylate methochloride Synonym
- (Trimethylammonio)ethyl acrylate chloride Synonym
- Ageflex FA 1Q80MC Synonym
- Adamquat MC 80 Synonym
- Adamquat MC 75 Synonym
- Acryloyloxyethyltrimethylammonium chloride Synonym
- Dimethylaminoethyl acrylate methyl chloride Synonym
- DMA-MC Synonym
- DME-B Synonym
- N-(2-Acryloyloxyethyl)-N,N,N-trimethylammonium chloride Synonym
- DMAEA-Q Synonym
- 2-Trimethylammonioethyl acrylate chloride Synonym
- Acryloxyethyltrimethylammonium chloride Synonym
- 2-(N,N-Dimethylamino)ethyl acrylate methyl chloride Synonym
- Ageflex FA 1Q80MC500 Synonym
- ADAME-Q Synonym
- 2-Trimethylammoniumethyl acrylate chloride Synonym
- 2-(Acryloyloxy)-N,N,N-trimethylethanaminium chloride Synonym
- Acryloxyethyltrimethylammonuim chloride Synonym
- DMA 3Q Synonym
- ADAME-Quat Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 193.67 g/mol | CAS Common Chemistry |
| 193.67399999999998 g/mol | RDKit | |
| 193.674 g/mol | RDKit | |
| 193.671 g/mol | chempirical lib | |
| 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 |
| -2.5742 | RDKit | |
| Molar Refractivity | 44.05540000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.625 | RDKit |
| 0.62 | chempirical lib | |
| Exact Mass | 193.086956432 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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.
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MW = 193.67 g/mol. Edit any field — others recompute live.
