Back to Search
Molecule
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
Identifiers
CAS Registry Number
14933-09-6
SMILES
CCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]
InChI Key
BHATUINFZWUDIX-UHFFFAOYSA-N
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
Names and Synonyms
- Zwittergent 3-14 Common Name
- Ralufon DM Synonym
- 1-Tetradecanaminium, N,N-dimethyl-N-(3-sulfopropyl)-, inner salt Synonym
- Ammonium, dimethyl(3-sulfopropyl)tetradecyl-, hydroxide, inner salt Synonym
- 1-Tetradecanaminium, N,N-dimethyl-N-(3-sulfopropyl)-, hydroxide, inner salt Synonym
- 3-(Dimethyltetradecylammonio)propane-1-sulfonate Synonym
- 3-(Tetradecyldimethylammonio)propanesulfonate Synonym
- 3-(Tetradecyldimethylammonio)-1-propanesulfonate Synonym
- Zwittergent 3-14 Synonym
- SB14 Synonym
- ZWT 14 Synonym
- Sulfobetaine 14 Synonym
- Zwittergent TM 14 Synonym
- Sulfobetaine 3-14 Synonym
- SB 3-14 Synonym
- Zwittergent TM 314 Synonym
- N-Tetradecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate Synonym
- Sulfobetain SB 14 Synonym
- 3-(N-Tetradecyl-N,N-dimethylammonio)propanesulfonate Synonym
- 3-(N,N-Dimethylmyristylammonium)propanesulfonate Synonym
- Myristylsulfobetaine Synonym
- TPS Synonym
- S 14 Synonym
- S 14 (onium compound) Synonym
- Anzergent 3-14 Synonym
- SB 14 Synonym
- SB 14 (onium compound) Synonym
- 3-(N,N-Dimethylmyristylammonio)propanesulfonate Synonym
- ZW 3-14 Synonym
- C 14APS Synonym
- C14APS Synonym
- SB 14-3 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 363.61 g/mol | CAS Common Chemistry |
| 363.60800000000006 g/mol | RDKit | |
| 363.608 g/mol | RDKit | |
| 363.601 g/mol | chempirical lib | |
| 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 |
| 4.6992 | RDKit | |
| Molar Refractivity | 102.10160000000009 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 363.28071517199993 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 363.61 g/mol. Edit any field — others recompute live.
