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N,N-Dimethylpropionamide
CAS: 758-96-3 | C5H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
758-96-3
Molecular Formula:
C5H11NO
Molecular Weight:
101.14899999999999 g/mol
Names and Synonyms:
N,N-Dimethylpropionamide
N,N-Di-methyl-3-propanamide
DMP
N,N-Dimethylpropionamide
N,N-Dimethylpropanamide
Propionamide, N,N-dimethyl-
Propanamide, N,N-dimethyl-
Identifiers:
SMILES:
CCC(=O)N(C)C
InChI:
InChI=1S/C5H11NO/c1-4-5(7)6(2)3/h4H2,1-3H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 101.15 g/mol | Legacy Database |
| density | 0.94 g/cm³ | Legacy Database |
| cas-boiling-point | 174.5 °C None | Legacy Database |
| cas-canonical-smile | O=C(N(C)C)CC None | Legacy Database |
| cas-density | 0.9429 g/cm3 @ Temp: 0 °C None | Legacy Database |
| cas-inchi | InChI=1S/C5H11NO/c1-4-5(7)6(2)3/h4H2,1-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=MBHINSULENHCMF-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -45 °C None | Legacy Database |
| cas-name | N,N-Dimethylpropionamide None | Legacy Database |
| LogP | 0.48460000000000003 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 101.14899999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 101.084063972 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 28.984999999999985 | RDKit |
