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N,N-Diethyldodecanamide
CAS: 3352-87-2 | C16H33NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3352-87-2
Molecular Formula:
C16H33NO
Molecular Mass:
255.45 g/mol
Names and Synonyms:
N,N-Diethyldodecanamide
Dodecanamide, N,N-diethyl-
N,N-Diethyldodecanamide
N,N-Diethyllaurylamide
Diethyllauramide
N,N-Diethyllauramide
n-Dodecanoic acid diethylamide
NSC 3890
NSC 406286
Identifiers:
SMILES:
CCCCCCCCCCCC(=O)N(CC)CC
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
Key Properties
Boiling Point
166-167 °C @ Press: 2 Torr
CAS Common Chemistry
Melting Point
230-235 °C @ Solvent: Ethanol
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 | 255.45 g/mol | CAS Common Chemistry |
| 255.44599999999994 g/mol | RDKit | |
| 255.256214676 g/mol | RDKit | |
| Boiling Point | 166-167 °C @ Press: 2 Torr | CAS Common Chemistry |
| 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 |
| LogP | 4.775700000000004 | RDKit |
| Molar Refractivity | 79.77200000000006 | RDKit |
