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Molecule
N,N-Dimethylacrylamide
CAS: 2680-03-7 · C5H9NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2680-03-7
- Molecular Formula
- C5H9NO
- Molecular Mass
- 99.13 g/mol
Identifiers
CAS Registry Number
2680-03-7
SMILES
C=CC(=O)N(C)C
InChI Key
YLGYACDQVQQZSW-UHFFFAOYSA-N
InChI
InChI=1S/C5H9NO/c1-4-5(7)6(2)3/h4H,1H2,2-3H3
Names and Synonyms
- N,N-Dimethylacrylamide Systematic Name
- 2-Propenamide, N,N-dimethyl- Synonym
- Acrylamide, N,N-dimethyl- Synonym
- N,N-Dimethyl-2-propenamide Synonym
- N,N-Dimethylacrylamide Synonym
- DMAC Synonym
- N,N-Dimethylpropenamide Synonym
- DMAA Synonym
- NSC 32613 Synonym
- NSC 35191 Synonym
- N,N′-Dimethylacrylamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 99.13 g/mol | CAS Common Chemistry |
| 99.133 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 |
| 20.31 Ų | RDKit | |
| 20.08 Ų | chempirical lib | |
| LogP | 0.26059999999999994 | RDKit |
| 0.2606 | RDKit | |
| Molar Refractivity | 28.890999999999988 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 99.068413908 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 99.13 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H9NO.
