Back to Search
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 Mass:
87.12 g/mol
Names and Synonyms:
Dimethylacetamide
DMAA
NSC 3138
Acetamide, N,N-dimethyl-
N,N-Dimethylacetamide
Acetdimethylamide
Dimethylacetamide
Dimethylamide acetate
DMA
N,N-Dimethylethanamide
DMAc
Identifiers:
SMILES:
CC(=O)N(C)C
InChI:
InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3
Key Properties
Boiling Point
163-165 °C
CAS Common Chemistry
Melting Point
-18.59 °C
CAS Common Chemistry
Density
0.94 g/cm³
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 | 87.12 g/mol | CAS Common Chemistry |
| 87.122 g/mol | RDKit | |
| 87.068413908 g/mol | RDKit | |
| Density | 0.94 g/cm³ | CAS Common Chemistry |
| 0.9366 g/cm3 @ Temp: 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 |
| LogP | 0.09450000000000003 | RDKit |
| Molar Refractivity | 24.36799999999999 | RDKit |
