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Molecule
Tetradecanamide
CAS: 638-58-4 · C14H29NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 638-58-4
- Molecular Formula
- C14H29NO
- Molecular Mass
- 227.39 g/mol
Identifiers
CAS Registry Number
638-58-4
SMILES
CCCCCCCCCCCCCC(=N)O
InChI Key
QEALYLRSRQDCRA-UHFFFAOYSA-N
InChI
InChI=1S/C14H29NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H2,15,16)
Names and Synonyms
- Tetradecanamide Common Name
- Tetradecanamide Synonym
- Myristamide Synonym
- Myristic amide Synonym
- Myristic acid amide Synonym
- Tetradecylamide Synonym
- Armid 14 Synonym
- NSC 66436 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 227.39 g/mol | CAS Common Chemistry |
| 227.39199999999997 g/mol | RDKit | |
| 227.392 g/mol | RDKit | |
| Canonical SMILES | O=C(N)CCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C14H29NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H2,15,16) | CAS Common Chemistry |
| InChI Key | InChIKey=QEALYLRSRQDCRA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 104 °C | CAS Common Chemistry |
| Name | Tetradecanamide | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 44.08 Ų | RDKit |
| LogP | 5.222770000000004 | RDKit |
| 5.2228 | RDKit | |
| 4.76 | chempirical lib | |
| Molar Refractivity | 71.43350000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9286 | RDKit |
| 0.93 | chempirical lib | |
| Exact Mass | 227.224914548 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
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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 = 227.39 g/mol. Edit any field — others recompute live.
