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N,N-Dimethylacrylamide
CAS: 2680-03-7 | C5H9NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2680-03-7
Molecular Formula:
C5H9NO
Molecular Weight:
99.133 g/mol
Names and Synonyms:
N,N-Dimethylacrylamide
N,N′-Dimethylacrylamide
NSC 35191
NSC 32613
DMAA
N,N-Dimethylpropenamide
DMAC
N,N-Dimethylacrylamide
N,N-Dimethyl-2-propenamide
Acrylamide, N,N-dimethyl-
2-Propenamide, N,N-dimethyl-
Identifiers:
SMILES:
C=CC(=O)N(C)C
InChI:
InChI=1S/C5H9NO/c1-4-5(7)6(2)3/h4H,1H2,2-3H3
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 | 99.133 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 99.068413908 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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 99.13 g/mol | Legacy Database |
| cas-boiling-point | 89-91 °C None | Legacy Database |
| cas-canonical-smile | O=C(C=C)N(C)C None | Legacy Database |
| cas-inchi | InChI=1S/C5H9NO/c1-4-5(7)6(2)3/h4H,1H2,2-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=YLGYACDQVQQZSW-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 100 °C None | Legacy Database |
| cas-name | N,N-Dimethylacrylamide None | Legacy Database |
| LogP | 0.26059999999999994 | 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 | 28.890999999999988 | RDKit |
