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Molecule
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
Identifiers
CAS Registry Number
822-12-8
SMILES
CCCCCCCCCCCCCC(=O)O.[Na]
InChI Key
ADAJHHAZQMCSRS-UHFFFAOYSA-N
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);
Names and Synonyms
- Sodium Myristate Synonym
- Tetradecanoic acid, sodium salt (1:1) Synonym
- Myristic acid, sodium salt Synonym
- Tetradecanoic acid, sodium salt Synonym
- Sodium myristate Synonym
- Sodium tetradecanoate Synonym
- Nonsoul MN 1 Synonym
- Nikkol MK 140 Synonym
- C 14-98/100MY, sodium salt Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 251.37 g/mol | CAS Common Chemistry |
| 251.36599999999996 g/mol | RDKit | |
| 251.366 g/mol | RDKit | |
| 252.374 g/mol | chempirical lib | |
| 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 |
| 4.3913 | RDKit | |
| Molar Refractivity | 74.46780000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9286 | RDKit |
| 0.93 | chempirical lib | |
| Exact Mass | 251.19869941599998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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
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MW = 251.37 g/mol. Edit any field — others recompute live.
