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Molecule
N,N-Dimethyldecanamide
CAS: 14433-76-2 · C12H25NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 14433-76-2
- Molecular Formula
- C12H25NO
- Molecular Mass
- 199.34 g/mol
Identifiers
CAS Registry Number
14433-76-2
SMILES
CCCCCCCCCC(=O)N(C)C
InChI Key
HNXNKTMIVROLTK-UHFFFAOYSA-N
InChI
InChI=1S/C12H25NO/c1-4-5-6-7-8-9-10-11-12(14)13(2)3/h4-11H2,1-3H3
Names and Synonyms
- N,N-Dimethyldecanamide Systematic Name
- Decanamide, N,N-dimethyl- Synonym
- N,N-Dimethyldecanamide Synonym
- N,N-Dimethylcapramide Synonym
- NSC 131411 Synonym
- Spectrasolv DMDA Synonym
- Hallcomid M 10 Synonym
- Agnique AMD 10 Synonym
- Agnique KE 3308 Synonym
- Armid DM 10 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(C)C)CCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C12H25NO/c1-4-5-6-7-8-9-10-11-12(14)13(2)3/h4-11H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HNXNKTMIVROLTK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N,N-Dimethyldecanamide | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
| 20.31 Ų | RDKit | |
| 20.08 Ų | chempirical lib | |
| LogP | 3.215300000000002 | RDKit |
| 3.2153 | RDKit | |
| Molar Refractivity | 61.30400000000005 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 |
| Boiling Point | 123 °C @ 25 Torr | CAS Common Chemistry |
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.
