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Sodium 2-Acrylamido-2-Methylpropanesulfonate
CAS: 5165-97-9 | C7H13NNaO4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5165-97-9
Molecular Formula:
C7H13NNaO4S
Molecular Mass:
230.24 g/mol
Names and Synonyms:
Sodium 2-Acrylamido-2-Methylpropanesulfonate
1-Propanesulfonic acid, 2-methyl-2-[(1-oxo-2-propen-1-yl)amino]-, sodium salt (1:1)
1-Propanesulfonic acid, 2-acrylamido-2-methyl-, sodium salt
1-Propanesulfonic acid, 2-methyl-2-[(1-oxo-2-propenyl)amino]-, monosodium salt
Sodium 2-acrylamido-2-methylpropanesulfonate
2-Acrylamido-2-methylpropanesulfonic acid sodium salt
Sodium 2-acrylamido-2-methyl-1-propanesulfonate
2-Acrylamido-2-methylpropane-1-sulfonic acid sodium salt
Lubrizol 2405
Lubrizol 2401
Lubrizol 2403
Lubrizol 2405A
Sodium 2-methyl-2-[(1-oxo-2-propenyl)amino]-1-propanesulfonate
LZ 2405
AMPS 2403
ATBS-NA
AMPS 2405
Sodium acryloyldimethyltaurate
Acryloyldimethyltaurine sodium salt
Sodium N-acryloyldimethyltaurate
AMPS 2401
AMPSA
2-Methyl-2-[(1-oxo-2-propenyl)amino]-1-propanesulfonic acid sodium salt
Lubrizol 2403A
COPS 2
Sodium 2-acrylamido-2-methylpropylsulfonate
Sodium AMPS
Acrylamido-tert-butylsulfonic acid sodium salt
Sodium N-acryloyl-2,2-dimethyltaurate
Sodium 2-methyl-2-acryloylamino-1-propanesulfonate
A 2405NA
A 2444
Identifiers:
SMILES:
C=CC(O)=NC(C)(C)CS(=O)(=O)O.[Na]
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);
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 | 230.24 g/mol | CAS Common Chemistry |
| 230.24099999999999 g/mol | RDKit | |
| 230.046298176 g/mol | RDKit | |
| 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 |
| LogP | 0.41450000000000004 | RDKit |
| Molar Refractivity | 56.50940000000002 | RDKit |
