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Zwittergent 3-14
CAS: 14933-09-6 | C19H41NO3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14933-09-6
Molecular Formula:
C19H41NO3S
Molecular Mass:
363.61 g/mol
Names and Synonyms:
Zwittergent 3-14
1-Tetradecanaminium, N,N-dimethyl-N-(3-sulfopropyl)-, inner salt
Ammonium, dimethyl(3-sulfopropyl)tetradecyl-, hydroxide, inner salt
1-Tetradecanaminium, N,N-dimethyl-N-(3-sulfopropyl)-, hydroxide, inner salt
3-(Dimethyltetradecylammonio)propane-1-sulfonate
3-(Tetradecyldimethylammonio)propanesulfonate
3-(Tetradecyldimethylammonio)-1-propanesulfonate
Zwittergent 3-14
SB14
ZWT 14
Sulfobetaine 14
Zwittergent TM 14
Sulfobetaine 3-14
SB 3-14
Zwittergent TM 314
N-Tetradecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate
Sulfobetain SB 14
3-(N-Tetradecyl-N,N-dimethylammonio)propanesulfonate
3-(N,N-Dimethylmyristylammonium)propanesulfonate
Ralufon DM
Myristylsulfobetaine
TPS
S 14
S 14 (onium compound)
Anzergent 3-14
SB 14
SB 14 (onium compound)
3-(N,N-Dimethylmyristylammonio)propanesulfonate
ZW 3-14
C 14APS
C14APS
SB 14-3
Identifiers:
SMILES:
CCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]
InChI:
InChI=1S/C19H41NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-20(2,3)18-16-19-24(21,22)23/h4-19H2,1-3H3
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 | 363.61 g/mol | CAS Common Chemistry |
| 363.60800000000006 g/mol | RDKit | |
| 363.28071517199993 g/mol | RDKit | |
| Canonical SMILES | O=S(=O)([O-])CCC[N+](C)(C)CCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C19H41NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-20(2,3)18-16-19-24(21,22)23/h4-19H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BHATUINFZWUDIX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Zwittergent 3-14 | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 17 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.2 Ų | RDKit |
| LogP | 4.699200000000004 | RDKit |
| Molar Refractivity | 102.10160000000009 | RDKit |
