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Diethylpropionamide
CAS: 1114-51-8 | C7H15NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1114-51-8
Molecular Formula:
C7H15NO
Molecular Mass:
129.20 g/mol
Names and Synonyms:
Diethylpropionamide
Propanamide, N,N-diethyl-
Propionamide, N,N-diethyl-
N,N-Diethylpropanamide
N,N-Diethylpropionamide
Diethylpropionamide
NSC 105
Identifiers:
SMILES:
CCC(=O)N(CC)CC
InChI:
InChI=1S/C7H15NO/c1-4-7(9)8(5-2)6-3/h4-6H2,1-3H3
Key Properties
Boiling Point
191 °C
CAS Common Chemistry
Density
0.90 g/cm³
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 | 129.20 g/mol | CAS Common Chemistry |
| 129.20299999999997 g/mol | RDKit | |
| 129.1153641 g/mol | RDKit | |
| Density | 0.90 g/cm³ | CAS Common Chemistry |
| 0.8972 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 191 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(N(CC)CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C7H15NO/c1-4-7(9)8(5-2)6-3/h4-6H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YKOQQFDCCBKROY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Diethylpropionamide | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
| LogP | 1.2648000000000001 | RDKit |
| Molar Refractivity | 38.219 | RDKit |
