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Sodium Tetradecyl Sulfate
CAS: 1191-50-0 | C14H30NaO4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1191-50-0
Molecular Formula:
C14H30NaO4S
Molecular Mass:
317.45 g/mol
Names and Synonyms:
Sodium Tetradecyl Sulfate
1-Tetradecanol, 1-(hydrogen sulfate), sodium salt (1:1)
Sodium tetradecyl sulfate
1-Tetradecanol, hydrogen sulfate sodium salt
1-Tetradecanol, hydrogen sulfate, sodium salt
Sodium myristyl sulfate
Tetradecyl sodium sulfate
Monotetradecyl sulfate sodium salt
Texapon K 14
STDS
Sodium n-tetradecyl sulfate
Sodium tetradecane sulfate
Tromboject
Nikkol SMS
Alscoap TM 30S
FibroVein
Nikkol SMS L
Sodium 1-tetradecanol sulfate
Nikkol SMS-F
Thromboject
Sulfate(1-), hydroxytrioxo(tetradecane)-
Identifiers:
SMILES:
CCCCCCCCCCCCCCOS(=O)(=O)O.[Na]
InChI:
InChI=1S/C14H30O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;/h2-14H2,1H3,(H,15,16,17);
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 | 317.45 g/mol | CAS Common Chemistry |
| 317.447 g/mol | RDKit | |
| 317.17624972 g/mol | RDKit | |
| Canonical SMILES | [Na].O=S(=O)(O)OCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C14H30O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;/h2-14H2,1H3,(H,15,16,17); | CAS Common Chemistry |
| InChI Key | InChIKey=JHWQZRARWFDALJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sodium tetradecyl sulfate | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 14 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 63.60000000000001 Ų | RDKit |
| LogP | 4.126100000000003 | RDKit |
| Molar Refractivity | 84.33260000000007 | RDKit |
