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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 Mass:
99.13 g/mol
Names and Synonyms:
N,N-Dimethylacrylamide
2-Propenamide, N,N-dimethyl-
Acrylamide, N,N-dimethyl-
N,N-Dimethyl-2-propenamide
N,N-Dimethylacrylamide
DMAC
N,N-Dimethylpropenamide
DMAA
NSC 32613
NSC 35191
N,N′-Dimethylacrylamide
Identifiers:
SMILES:
C=CC(=O)N(C)C
InChI:
InChI=1S/C5H9NO/c1-4-5(7)6(2)3/h4H,1H2,2-3H3
Key Properties
Boiling Point
89-91 °C
CAS Common Chemistry
Melting Point
100 °C
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 | 99.13 g/mol | CAS Common Chemistry |
| 99.133 g/mol | RDKit | |
| 99.068413908 g/mol | RDKit | |
| Boiling Point | 89-91 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(C=C)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H9NO/c1-4-5(7)6(2)3/h4H,1H2,2-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YLGYACDQVQQZSW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 100 °C | CAS Common Chemistry |
| Name | N,N-Dimethylacrylamide | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
| LogP | 0.26059999999999994 | RDKit |
| Molar Refractivity | 28.890999999999988 | RDKit |
