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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 Weight:
143.23 g/mol
Names and Synonyms:
N,N-Dimethylhexanamide
Avignasol
N,N-Dimethylcaproamide
N,N-Dimethylhexanamide
Caproamide, N,N-dimethyl-
Hexanamide, N,N-dimethyl-
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
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 143.23 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 143.131014164 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.6549 | RDKit |
| molecular_mass | 143.23 g/mol | Legacy Database |
| cas-boiling-point | 123 °C @ Press: 25 Torr None | Legacy Database |
| cas-canonical-smile | O=C(N(C)C)CCCCC None | Legacy Database |
| cas-inchi | InChI=1S/C8H17NO/c1-4-5-6-7-8(10)9(2)3/h4-7H2,1-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=OAERLTPBKQBWHJ-UHFFFAOYSA-N None | Legacy Database |
| cas-name | N,N-Dimethylhexanamide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 42.83600000000001 | RDKit |
