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N-Methoxy-N-Methylacetamide
CAS: 78191-00-1 | C4H9NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
78191-00-1
Molecular Formula:
C4H9NO2
Molecular Mass:
103.12 g/mol
Names and Synonyms:
N-Methoxy-N-Methylacetamide
Acetamide, N-methoxy-N-methyl-
N-Methoxy-N-methylacetamide
N-Methyl-N-methoxyacetamide
N,O-Dimethylacetohydroxamic acid
N-Methoxy-N-methylacetamide
Identifiers:
SMILES:
CON(C)C(C)=O
InChI:
InChI=1S/C4H9NO2/c1-4(6)5(2)7-3/h1-3H3
Key Properties
Boiling Point
70-73 °C @ Press: 1 Torr
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 | 103.12 g/mol | CAS Common Chemistry |
| 103.12099999999998 g/mol | RDKit | |
| 103.063328528 g/mol | RDKit | |
| Boiling Point | 70-73 °C @ Press: 1 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(N(OC)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H9NO2/c1-4(6)5(2)7-3/h1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OYVXVLSZQHSNDK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-Methoxy-N-methylacetamide | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.54 Ų | RDKit |
| LogP | 0.026100000000000012 | RDKit |
| Molar Refractivity | 25.45299999999999 | RDKit |
