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N,N-Dimethylhexanamide
CAS: 5830-30-8 | C8H17NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5830-30-8
Molecular Formula:
C8H17NO
Molecular Mass:
143.23 g/mol
Names and Synonyms:
N,N-Dimethylhexanamide
Hexanamide, N,N-dimethyl-
Caproamide, N,N-dimethyl-
N,N-Dimethylhexanamide
N,N-Dimethylcaproamide
Avignasol
Identifiers:
SMILES:
CCCCCC(=O)N(C)C
InChI:
InChI=1S/C8H17NO/c1-4-5-6-7-8(10)9(2)3/h4-7H2,1-3H3
Key Properties
Boiling Point
123 °C @ Press: 25 Torr
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 | 143.23 g/mol | CAS Common Chemistry |
| 143.131014164 g/mol | RDKit | |
| Boiling Point | 123 °C @ Press: 25 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(N(C)C)CCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H17NO/c1-4-5-6-7-8(10)9(2)3/h4-7H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OAERLTPBKQBWHJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N,N-Dimethylhexanamide | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
| LogP | 1.6549 | RDKit |
| Molar Refractivity | 42.83600000000001 | RDKit |
