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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
Names and Synonyms:
N-Dodecyl-N,N-Dimethyl-3-Ammonio-1-Propanesulfonate
Dodecyldimethyl(3-sulfopropyl)ammonium inner salt
Sulfobetaine 3-10
3-(Dodecyldimethylammonio)propanesulfonate
Laurylpropylsulfobetaine
N-Dodecyl-N,N-dimethyl-3-ammonio-1-propanesulphonate
ZW 3-12
DPS
3-(N,N-Dimethyl-N-laurylamino)propanesulfonic acid inner salt
3-(N-Lauryl-N,N-dimethylamino)propanesulfonate inner salt
Anzergent 3-12
N-Dodecyl-N,N-dimethyl-3-ammonium-1-propanesulfonate
3-(Dodecyldimethylammonio)propanesulfonate inner salt
3-(N,N-Dimethyl-1-dodecylammonium)propanesulfonate
SB 12
SB 12 (onium compound)
DSB
C 12APS
C12APS
Dodecyldimethylammonium propanesulfonate
1-Dodecanaminium, N,N-dimethyl-N-(3-sulfopropyl)-, inner salt
Ammonium, dodecyldimethyl(3-sulfopropyl)-, hydroxide, inner salt
1-Dodecanaminium, N,N-dimethyl-N-(3-sulfopropyl)-, hydroxide, inner salt
3-(N,N-Dimethyl-N-dodecylammonio)propane-1-sulfonate
3-(Dimethyldodecylammonio)propane-1-sulfonate
Zwittergent 3-12
N-Dodecylsulfobetaine
ZWIG 12
ZWT 12
3-(N-Dodecyl-N,N-dimethylammonium)propane-1-sulfonic acid inner salt
Zwittergent TM 3-12
Zwittergent TM 12
SB 3-12
SB12
Ralufon DL
SB12 (quaternary compound)
3-(N-Dodecyl-N,N-dimethylammonio)-1-propanesulfonate
Sulfobetaine 12
Hartomer HB 5175
NDA
Dodecyldimethyl(3-sulfopropyl)ammonium hydroxide inner salt
3-(Dodecyldimethylammonio)-1-propanesulfonate
α-(Dodecyldimethylammonio)-ω-propanesulfonate
Sulfobetain 12
Dodecyldimethyl(3-sulfopropyl)ammonium hydroxide
N-Dodecyl-N,N-dimethylammonio-3-propanesulfonate
N-Dodecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate
DDAPS
Identifiers:
SMILES:
CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]
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
Key Properties
Melting Point
300-302 °C (decomp) @ Solvent: Water, Diethyl ether, Ethanol
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
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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 | 335.55 g/mol | CAS Common Chemistry |
| 335.554 g/mol | RDKit | |
| 335.24941504399993 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 92.86760000000008 | RDKit |
