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Molecule
Sulfobetaine Methacrylate
CAS: 3637-26-1 · C11H21NO5S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3637-26-1
- Molecular Formula
- C11H21NO5S
- Molecular Mass
- 279.36 g/mol
Identifiers
CAS Registry Number
3637-26-1
SMILES
C=C(C)C(=O)OCC[N+](C)(C)CCCS(=O)(=O)[O-]
InChI Key
BCAIDFOKQCVACE-UHFFFAOYSA-N
InChI
InChI=1S/C11H21NO5S/c1-10(2)11(13)17-8-7-12(3,4)6-5-9-18(14,15)16/h1,5-9H2,2-4H3
Names and Synonyms
- Sulfobetaine Methacrylate Common Name
- 1-Propanaminium, N,N-dimethyl-N-[2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]ethyl]-3-sulfo-, inner salt Synonym
- Ammonium, (2-hydroxyethyl)dimethyl(3-sulfopropyl)-, hydroxide, inner salt, methacrylate Synonym
- 1-Propanaminium, N,N-dimethyl-N-[2-[(2-methyl-1-oxo-2-propenyl)oxy]ethyl]-3-sulfo-, hydroxide, inner salt Synonym
- (2-Hydroxyethyl)dimethyl(3-sulfopropyl)ammonium hydroxide, inner salt, methacrylate Synonym
- 1-Propanaminium, N,N-dimethyl-N-[2-[(2-methyl-1-oxo-2-propenyl)oxy]ethyl]-3-sulfo-, inner salt Synonym
- N-[2-(Methacryloyloxy)ethyl]-N,N-dimethyl-N-(3-sulfopropyl)betaine Synonym
- [2-(Methacryloyloxy)ethyl]dimethyl(3-sulfopropyl)ammonium hydroxide inner salt Synonym
- SPE Synonym
- Hartomer HB 6380 Synonym
- Dimethyl(2-methacryloyloxyethyl)(3-sulfopropyl)ammonium Synonym
- 3-[Dimethyl(methacryloyloxyethyl)ammonium]propanesulfonate Synonym
- 3-[N,N-Dimethyl-N-(methacryloyloxyethyl)ammonium]propanesulfonate Synonym
- N-(3-Sulfopropyl)-N-(methacryloyloxyethyl)-N,N-dimethylammonium betaine Synonym
- N,N-Dimethyl-N-methacryloyloxyethyl-N-(3-sulfopropyl)ammonium inner salt Synonym
- N,N-Dimethyl-N-[2-(methacryloyloxy)ethyl]-N-(3-sulfopropyl)ammonium betaine Synonym
- N,N-Dimethyl(methacryloyloxyethyl)ammonium propanesulfonate Synonym
- DMAPS Synonym
- N-(2-Methacryloyloxyethyl)-N,N-dimethyl-N-(sulfopropyl)betain Synonym
- Ralu Mer SPE Synonym
- Sulfobetaine methacrylate Synonym
- [2-(Methacryloyloxy)ethyl]dimethyl(3-sulfopropyl)ammonium hydroxide Synonym
- N,N-Dimethyl-N-(3-sulfonatopropyl)-2-(methacryloyloxy)ethane-1-aminium Synonym
- N-(3-Sulfopropyl)-N-(methacryloxyethyl)-N,N-dimethylammonium betaine Synonym
- N,N-Dimethyl-N-(2-methacryloxyethyl)-N-(3-sulfopropyl)ammonium betaine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 279.36 g/mol | CAS Common Chemistry |
| 279.358 g/mol | RDKit | |
| 279.351 g/mol | chempirical lib | |
| Canonical SMILES | O=C(OCC[N+](C)(C)CCCS(=O)(=O)[O-])C(=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C11H21NO5S/c1-10(2)11(13)17-8-7-12(3,4)6-5-9-18(14,15)16/h1,5-9H2,2-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BCAIDFOKQCVACE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 148-149 °C | CAS Common Chemistry |
| Name | Sulfobetaine methacrylate | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 83.5 Ų | RDKit |
| LogP | 0.11740000000000039 | RDKit |
| 0.1174 | RDKit | |
| Molar Refractivity | 66.79660000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7273 | RDKit |
| 0.73 | chempirical lib | |
| Exact Mass | 279.114043772 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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| 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 = 279.36 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H21NO5S.
