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Molecule
[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 Mass
- 207.70 g/mol
Identifiers
CAS Registry Number
5039-78-1
SMILES
C=C(C)C(=O)OCC[N+](C)(C)C.[Cl-]
InChI Key
RRHXZLALVWBDKH-UHFFFAOYSA-M
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
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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 207.70 g/mol | CAS Common Chemistry |
| 207.701 g/mol | RDKit | |
| 207.698 g/mol | chempirical lib | |
| Canonical SMILES | [Cl-].O=C(OCC[N+](C)(C)C)C(=C)C | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=RRHXZLALVWBDKH-UHFFFAOYSA-M | CAS Common Chemistry |
| Name | [2-(Methacryloyloxy)ethyl]trimethylammonium chloride | CAS Common Chemistry |
| Heavy Atom Count | 13 | 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 | -2.1840999999999955 | RDKit |
| -2.1841 | RDKit | |
| Molar Refractivity | 48.67240000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 207.102606496 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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120
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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.
External Resources
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MW = 207.70 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H18ClNO2.
