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Molecule
Sodium 2-Acrylamido-2-Methylpropanesulfonate
CAS: 5165-97-9 · C7H13NNaO4S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5165-97-9
- Molecular Formula
- C7H13NNaO4S
- Molecular Mass
- 230.24 g/mol
Identifiers
CAS Registry Number
5165-97-9
SMILES
C=CC(O)=NC(C)(C)CS(=O)(=O)O.[Na]
InChI Key
OPRIWFSSXKQMPB-UHFFFAOYSA-N
InChI
InChI=1S/C7H13NO4S.Na/c1-4-6(9)8-7(2,3)5-13(10,11)12;/h4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12);
Names and Synonyms
- Sodium 2-Acrylamido-2-Methylpropanesulfonate Common Name
- 1-Propanesulfonic acid, 2-methyl-2-[(1-oxo-2-propen-1-yl)amino]-, sodium salt (1:1) Synonym
- 1-Propanesulfonic acid, 2-acrylamido-2-methyl-, sodium salt Synonym
- 1-Propanesulfonic acid, 2-methyl-2-[(1-oxo-2-propenyl)amino]-, monosodium salt Synonym
- Sodium 2-acrylamido-2-methylpropanesulfonate Synonym
- 2-Acrylamido-2-methylpropanesulfonic acid sodium salt Synonym
- Sodium 2-acrylamido-2-methyl-1-propanesulfonate Synonym
- 2-Acrylamido-2-methylpropane-1-sulfonic acid sodium salt Synonym
- Lubrizol 2405 Synonym
- Lubrizol 2401 Synonym
- Lubrizol 2403 Synonym
- Lubrizol 2405A Synonym
- Sodium 2-methyl-2-[(1-oxo-2-propenyl)amino]-1-propanesulfonate Synonym
- LZ 2405 Synonym
- AMPS 2403 Synonym
- ATBS-NA Synonym
- AMPS 2405 Synonym
- Sodium acryloyldimethyltaurate Synonym
- Acryloyldimethyltaurine sodium salt Synonym
- Sodium N-acryloyldimethyltaurate Synonym
- AMPS 2401 Synonym
- AMPSA Synonym
- 2-Methyl-2-[(1-oxo-2-propenyl)amino]-1-propanesulfonic acid sodium salt Synonym
- Lubrizol 2403A Synonym
- COPS 2 Synonym
- Sodium 2-acrylamido-2-methylpropylsulfonate Synonym
- Sodium AMPS Synonym
- Acrylamido-tert-butylsulfonic acid sodium salt Synonym
- Sodium N-acryloyl-2,2-dimethyltaurate Synonym
- Sodium 2-methyl-2-acryloylamino-1-propanesulfonate Synonym
- A 2405NA Synonym
- A 2444 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 230.24 g/mol | CAS Common Chemistry |
| 230.24099999999999 g/mol | RDKit | |
| 230.241 g/mol | RDKit | |
| 231.242 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=C(C=C)NC(C)(C)CS(=O)(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C7H13NO4S.Na/c1-4-6(9)8-7(2,3)5-13(10,11)12;/h4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12); | CAS Common Chemistry |
| InChI Key | InChIKey=OPRIWFSSXKQMPB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sodium 2-acrylamido-2-methylpropanesulfonate | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 86.96000000000001 Ų | RDKit |
| 86.96 Ų | RDKit | |
| LogP | 0.41450000000000004 | RDKit |
| 0.4145 | RDKit | |
| Molar Refractivity | 56.50940000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5714 | RDKit |
| 0.57 | chempirical lib | |
| Exact Mass | 230.046298176 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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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.
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MW = 230.24 g/mol. Edit any field — others recompute live.
