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Molecule
N-Dodecyl-N,N-Dimethyl-3-Ammonio-1-Propanesulfonate
CAS: 14933-08-5 · C17H37NO3S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 14933-08-5
- Molecular Formula
- C17H37NO3S
- Molecular Mass
- 335.55 g/mol
Identifiers
CAS Registry Number
14933-08-5
SMILES
CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]
InChI Key
IZWSFJTYBVKZNK-UHFFFAOYSA-N
InChI
InChI=1S/C17H37NO3S/c1-4-5-6-7-8-9-10-11-12-13-15-18(2,3)16-14-17-22(19,20)21/h4-17H2,1-3H3
Names and Synonyms
- N-Dodecyl-N,N-Dimethyl-3-Ammonio-1-Propanesulfonate Systematic Name
- Dodecyldimethyl(3-sulfopropyl)ammonium inner salt Synonym
- Sulfobetaine 3-10 Synonym
- 3-(Dodecyldimethylammonio)propanesulfonate Synonym
- Laurylpropylsulfobetaine Synonym
- N-Dodecyl-N,N-dimethyl-3-ammonio-1-propanesulphonate Synonym
- ZW 3-12 Synonym
- DPS Synonym
- 3-(N,N-Dimethyl-N-laurylamino)propanesulfonic acid inner salt Synonym
- 3-(N-Lauryl-N,N-dimethylamino)propanesulfonate inner salt Synonym
- Anzergent 3-12 Synonym
- N-Dodecyl-N,N-dimethyl-3-ammonium-1-propanesulfonate Synonym
- 3-(Dodecyldimethylammonio)propanesulfonate inner salt Synonym
- 3-(N,N-Dimethyl-1-dodecylammonium)propanesulfonate Synonym
- SB 12 Synonym
- SB 12 (onium compound) Synonym
- DSB Synonym
- C 12APS Synonym
- C12APS Synonym
- Dodecyldimethylammonium propanesulfonate Synonym
- 1-Dodecanaminium, N,N-dimethyl-N-(3-sulfopropyl)-, inner salt Synonym
- Ammonium, dodecyldimethyl(3-sulfopropyl)-, hydroxide, inner salt Synonym
- 1-Dodecanaminium, N,N-dimethyl-N-(3-sulfopropyl)-, hydroxide, inner salt Synonym
- 3-(N,N-Dimethyl-N-dodecylammonio)propane-1-sulfonate Synonym
- 3-(Dimethyldodecylammonio)propane-1-sulfonate Synonym
- Zwittergent 3-12 Synonym
- N-Dodecylsulfobetaine Synonym
- ZWIG 12 Synonym
- ZWT 12 Synonym
- 3-(N-Dodecyl-N,N-dimethylammonium)propane-1-sulfonic acid inner salt Synonym
- Zwittergent TM 3-12 Synonym
- Zwittergent TM 12 Synonym
- SB 3-12 Synonym
- SB12 Synonym
- Ralufon DL Synonym
- SB12 (quaternary compound) Synonym
- 3-(N-Dodecyl-N,N-dimethylammonio)-1-propanesulfonate Synonym
- Sulfobetaine 12 Synonym
- Hartomer HB 5175 Synonym
- NDA Synonym
- Dodecyldimethyl(3-sulfopropyl)ammonium hydroxide inner salt Synonym
- 3-(Dodecyldimethylammonio)-1-propanesulfonate Synonym
- α-(Dodecyldimethylammonio)-ω-propanesulfonate Synonym
- Sulfobetain 12 Synonym
- Dodecyldimethyl(3-sulfopropyl)ammonium hydroxide Synonym
- N-Dodecyl-N,N-dimethylammonio-3-propanesulfonate Synonym
- N-Dodecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate Synonym
- DDAPS Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 335.55 g/mol | CAS Common Chemistry |
| 335.554 g/mol | RDKit | |
| 335.547 g/mol | chempirical lib | |
| Canonical SMILES | O=S(=O)([O-])CCC[N+](C)(C)CCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C17H37NO3S/c1-4-5-6-7-8-9-10-11-12-13-15-18(2,3)16-14-17-22(19,20)21/h4-17H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IZWSFJTYBVKZNK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 300-302 °C (decomp) @ Solvent: Water, Diethyl ether, Ethanol | CAS Common Chemistry |
| Name | N-Dodecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 15 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.2 Ų | RDKit |
| LogP | 3.919000000000003 | RDKit |
| 3.919 | RDKit | |
| Molar Refractivity | 92.86760000000008 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 335.24941504399993 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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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.
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MW = 335.55 g/mol. Edit any field — others recompute live.
