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Dimethylacetamide
CAS: 127-19-5 | C4H9NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
127-19-5
Molecular Formula:
C4H9NO
Molecular Weight:
87.122 g/mol
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
Identifiers:
SMILES:
CC(=O)N(C)C
InChI:
InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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5
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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 |
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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 | 87.122 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 87.068413908 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.09450000000000003 | RDKit |
| molecular_mass | 87.12 g/mol | Legacy Database |
| density | 0.94 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Dimethylacetamide None | Legacy Database |
| cas-boiling-point | 163-165 °C None | Legacy Database |
| cas-canonical-smile | O=C(N(C)C)C None | Legacy Database |
| cas-density | 0.9366 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-inchi | InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=FXHOOIRPVKKKFG-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -18.59 °C None | Legacy Database |
| cas-name | Dimethylacetamide None | Legacy Database |
| wikipedia-name | Dimethylacetamide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 24.36799999999999 | RDKit |