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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
Names and Synonyms:
Sulfobetaine Methacrylate
1-Propanaminium, N,N-dimethyl-N-[2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]ethyl]-3-sulfo-, inner salt
Ammonium, (2-hydroxyethyl)dimethyl(3-sulfopropyl)-, hydroxide, inner salt, methacrylate
1-Propanaminium, N,N-dimethyl-N-[2-[(2-methyl-1-oxo-2-propenyl)oxy]ethyl]-3-sulfo-, hydroxide, inner salt
(2-Hydroxyethyl)dimethyl(3-sulfopropyl)ammonium hydroxide, inner salt, methacrylate
1-Propanaminium, N,N-dimethyl-N-[2-[(2-methyl-1-oxo-2-propenyl)oxy]ethyl]-3-sulfo-, inner salt
N-[2-(Methacryloyloxy)ethyl]-N,N-dimethyl-N-(3-sulfopropyl)betaine
[2-(Methacryloyloxy)ethyl]dimethyl(3-sulfopropyl)ammonium hydroxide inner salt
SPE
Hartomer HB 6380
Dimethyl(2-methacryloyloxyethyl)(3-sulfopropyl)ammonium
3-[Dimethyl(methacryloyloxyethyl)ammonium]propanesulfonate
3-[N,N-Dimethyl-N-(methacryloyloxyethyl)ammonium]propanesulfonate
N-(3-Sulfopropyl)-N-(methacryloyloxyethyl)-N,N-dimethylammonium betaine
N,N-Dimethyl-N-methacryloyloxyethyl-N-(3-sulfopropyl)ammonium inner salt
N,N-Dimethyl-N-[2-(methacryloyloxy)ethyl]-N-(3-sulfopropyl)ammonium betaine
N,N-Dimethyl(methacryloyloxyethyl)ammonium propanesulfonate
DMAPS
N-(2-Methacryloyloxyethyl)-N,N-dimethyl-N-(sulfopropyl)betain
Ralu Mer SPE
Sulfobetaine methacrylate
[2-(Methacryloyloxy)ethyl]dimethyl(3-sulfopropyl)ammonium hydroxide
N,N-Dimethyl-N-(3-sulfonatopropyl)-2-(methacryloyloxy)ethane-1-aminium
N-(3-Sulfopropyl)-N-(methacryloxyethyl)-N,N-dimethylammonium betaine
N,N-Dimethyl-N-(2-methacryloxyethyl)-N-(3-sulfopropyl)ammonium betaine
Identifiers:
SMILES:
C=C(C)C(=O)OCC[N+](C)(C)CCCS(=O)(=O)[O-]
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
Key Properties
Melting Point
148-149 °C
CAS Common Chemistry
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 | 279.36 g/mol | CAS Common Chemistry |
| 279.358 g/mol | RDKit | |
| 279.114043772 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 66.79660000000004 | RDKit |
