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Molecule
N,N-Diethyldodecanamide
CAS: 3352-87-2 · C16H33NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3352-87-2
- Molecular Formula
- C16H33NO
- Molecular Mass
- 255.45 g/mol
Identifiers
CAS Registry Number
3352-87-2
SMILES
CCCCCCCCCCCC(=O)N(CC)CC
InChI Key
CWNSVVHTTQBGQB-UHFFFAOYSA-N
InChI
InChI=1S/C16H33NO/c1-4-7-8-9-10-11-12-13-14-15-16(18)17(5-2)6-3/h4-15H2,1-3H3
Names and Synonyms
- N,N-Diethyldodecanamide Synonym
- Dodecanamide, N,N-diethyl- Synonym
- N,N-Diethyldodecanamide Synonym
- N,N-Diethyllaurylamide Synonym
- Diethyllauramide Synonym
- N,N-Diethyllauramide Synonym
- n-Dodecanoic acid diethylamide Synonym
- NSC 3890 Synonym
- NSC 406286 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 255.45 g/mol | CAS Common Chemistry |
| 255.44599999999994 g/mol | RDKit | |
| 255.446 g/mol | RDKit | |
| Canonical SMILES | O=C(N(CC)CC)CCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C16H33NO/c1-4-7-8-9-10-11-12-13-14-15-16(18)17(5-2)6-3/h4-15H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CWNSVVHTTQBGQB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 230-235 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | N,N-Diethyldodecanamide | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
| 20.31 Ų | RDKit | |
| 20.08 Ų | chempirical lib | |
| LogP | 4.775700000000004 | RDKit |
| 4.7757 | RDKit | |
| Molar Refractivity | 79.77200000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9375 | RDKit |
| 0.94 | chempirical lib | |
| Exact Mass | 255.256214676 g/mol | RDKit |
| Boiling Point | 166-167 °C @ 2 Torr | CAS Common Chemistry |
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
160
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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 = 255.45 g/mol. Edit any field — others recompute live.
