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Sodium Myristate
CAS: 822-12-8 | C14H28NaO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
822-12-8
Molecular Formula:
C14H28NaO2
Molecular Mass:
251.37 g/mol
Names and Synonyms:
Sodium Myristate
Tetradecanoic acid, sodium salt (1:1)
Myristic acid, sodium salt
Tetradecanoic acid, sodium salt
Sodium myristate
Sodium tetradecanoate
Nonsoul MN 1
Nikkol MK 140
C 14-98/100MY, sodium salt
Identifiers:
SMILES:
CCCCCCCCCCCCCC(=O)O.[Na]
InChI:
InChI=1S/C14H28O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;/h2-13H2,1H3,(H,15,16);
Key Properties
Melting Point
330 °C
CAS Common Chemistry
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 | 251.37 g/mol | CAS Common Chemistry |
| 251.36599999999996 g/mol | RDKit | |
| 251.19869941599998 g/mol | RDKit | |
| Canonical SMILES | [Na].O=C(O)CCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C14H28O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;/h2-13H2,1H3,(H,15,16); | CAS Common Chemistry |
| InChI Key | InChIKey=ADAJHHAZQMCSRS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 330 °C | CAS Common Chemistry |
| Name | Sodium myristate | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 4.391300000000003 | RDKit |
| Molar Refractivity | 74.46780000000005 | RDKit |
