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Molecule
Dimethylacetamide
CAS: 127-19-5 · C4H9NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 127-19-5
- Molecular Formula
- C4H9NO
- Molecular Mass
- 87.12 g/mol
Identifiers
CAS Registry Number
127-19-5
SMILES
CC(=O)N(C)C
InChI Key
FXHOOIRPVKKKFG-UHFFFAOYSA-N
InChI
InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3
Names and Synonyms
- Dimethylacetamide Synonym
- DMAA Synonym
- NSC 3138 Synonym
- Acetamide, N,N-dimethyl- Synonym
- N,N-Dimethylacetamide Synonym
- Acetdimethylamide Synonym
- Dimethylacetamide Synonym
- Dimethylamide acetate Synonym
- DMA Synonym
- N,N-Dimethylethanamide Synonym
- DMAc Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 87.12 g/mol | CAS Common Chemistry |
| 87.122 g/mol | RDKit | |
| Density | 0.94 g/cm³ | CAS Common Chemistry |
| 0.9366 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dimethylacetamide | CAS Common Chemistry |
| Boiling Point | 163-165 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(N(C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FXHOOIRPVKKKFG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -18.59 °C | CAS Common Chemistry |
| Name | Dimethylacetamide | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
| 20.31 Ų | RDKit | |
| 20.08 Ų | chempirical lib | |
| LogP | 0.09450000000000003 | RDKit |
| 0.0945 | RDKit | |
| Molar Refractivity | 24.36799999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 87.068413908 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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Quick conversion
MW = 87.12 g/mol; density = 0.940 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H9NO.
