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Molecule
2-Acrylamido-2-Methylpropane Sulfonic Acid
CAS: 15214-89-8 · C7H13NO4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 15214-89-8
- Molecular Formula
- C7H13NO4S
- Molecular Mass
- 207.25 g/mol
Identifiers
CAS Registry Number
15214-89-8
SMILES
C=CC(O)=NC(C)(C)CS(=O)(=O)O
InChI Key
XHZPRMZZQOIPDS-UHFFFAOYSA-N
InChI
InChI=1S/C7H13NO4S/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
- 2-Acrylamido-2-Methylpropane Sulfonic Acid Synonym
- 1-Propanesulfonic acid, 2-methyl-2-[(1-oxo-2-propen-1-yl)amino]- Synonym
- 1-Propanesulfonic acid, 2-acrylamido-2-methyl- Synonym
- 1-Propanesulfonic acid, 2-methyl-2-[(1-oxo-2-propenyl)amino]- Synonym
- 2-Methyl-2-[(1-oxo-2-propen-1-yl)amino]-1-propanesulfonic acid Synonym
- 2-Acrylamido-2-methylpropanesulfonic acid Synonym
- 2-Acrylamido-2,2-dimethylethanesulfonic acid Synonym
- AMPS Synonym
- Lubrizol AMPS Synonym
- 2-Acrylamido-2-methylpropylsulfonic acid Synonym
- AMPS (sulfonic acid) Synonym
- 2-Acrylamido-2-methyl-1-propanesulfonic acid Synonym
- Lubrizol 2404 Synonym
- TBAS-Q Synonym
- 2-Methyl-2-[(1-oxo-2-propenyl)amino]-1-propanesulfonic acid Synonym
- Acrylamide tert-butylsulfonic acid Synonym
- ATBS Synonym
- tert-Butylacrylamidosulfonic acid Synonym
- Lubrizol 2402 Synonym
- 2-Acryloylamido-2-methylpropanesulfonic acid Synonym
- CG 810S-P Synonym
- 2-Acryloylamino-2-methyl-1-propanesulfonic acid Synonym
- N-Acryloyl-2,2-dimethyltaurine Synonym
- (1,1-Dimethyl-2-sulfoethyl)acrylamide Synonym
- 2-Acrylamido-2-methy-1-propanesulfonic acid Synonym
- 2-Methyl-2-(prop-2-enamido)propane-1-sulfonic acid Synonym
- 2-Methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 207.25 g/mol | CAS Common Chemistry |
| 207.25099999999998 g/mol | RDKit | |
| 207.251 g/mol | RDKit | |
| 207.244 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Acrylamido-2-methylpropane_sulfonic_acid | CAS Common Chemistry |
| Canonical SMILES | O=C(C=C)NC(C)(C)CS(=O)(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C7H13NO4S/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=XHZPRMZZQOIPDS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 184-186 °C | CAS Common Chemistry |
| Name | 2-Acrylamido-2-methylpropanesulfonic acid | CAS Common Chemistry |
| 2-Acrylamido-2-methylpropane sulfonic acid | CAS Common Chemistry | |
| Heavy Atom Count | 13 | 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 | 0.7953 | RDKit |
| Molar Refractivity | 50.75540000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5714 | RDKit |
| 0.57 | chempirical lib | |
| Exact Mass | 207.056528896 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
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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 = 207.25 g/mol. Edit any field — others recompute live.
