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Molecule
Dodecanamide
CAS: 1120-16-7 · C12H25NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1120-16-7
- Molecular Formula
- C12H25NO
- Molecular Mass
- 199.34 g/mol
Identifiers
CAS Registry Number
1120-16-7
SMILES
CCCCCCCCCCCC(=N)O
InChI Key
ILRSCQWREDREME-UHFFFAOYSA-N
InChI
InChI=1S/C12H25NO/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H2,13,14)
Names and Synonyms
- Dodecanamide Synonym
- Dodecanamide Synonym
- Lauramide Synonym
- Amide KK Synonym
- Lauric amide Synonym
- Lauryl amide Synonym
- Dodecylamide Synonym
- Dodecamide Synonym
- Diamid Y Synonym
- Lauroyl amide Synonym
- Armid 12 Synonym
- NSC 26630 Synonym
- NSC 889 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 199.34 g/mol | CAS Common Chemistry |
| 199.338 g/mol | RDKit | |
| Canonical SMILES | O=C(N)CCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C12H25NO/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H2,13,14) | CAS Common Chemistry |
| InChI Key | InChIKey=ILRSCQWREDREME-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 110 °C | CAS Common Chemistry |
| Name | Dodecanamide | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 44.08 Ų | RDKit |
| LogP | 4.442570000000003 | RDKit |
| 4.4426 | RDKit | |
| Molar Refractivity | 62.19950000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9167 | RDKit |
| 0.92 | chempirical lib | |
| Exact Mass | 199.19361442 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 199.34 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H25NO.
