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Molecule
N-Methoxy-N-Methylacetamide
CAS: 78191-00-1 · C4H9NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 78191-00-1
- Molecular Formula
- C4H9NO2
- Molecular Mass
- 103.12 g/mol
Identifiers
CAS Registry Number
78191-00-1
SMILES
CON(C)C(C)=O
InChI Key
OYVXVLSZQHSNDK-UHFFFAOYSA-N
InChI
InChI=1S/C4H9NO2/c1-4(6)5(2)7-3/h1-3H3
Names and Synonyms
- N-Methoxy-N-Methylacetamide Common Name
- Acetamide, N-methoxy-N-methyl- Synonym
- N-Methoxy-N-methylacetamide Synonym
- N-Methyl-N-methoxyacetamide Synonym
- N,O-Dimethylacetohydroxamic acid Synonym
- N-Methoxy-N-methylacetamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 103.12 g/mol | CAS Common Chemistry |
| 103.12099999999998 g/mol | RDKit | |
| 103.121 g/mol | RDKit | |
| 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 |
| 29.31 Ų | chempirical lib | |
| LogP | 0.026100000000000012 | RDKit |
| 0.0261 | RDKit | |
| Molar Refractivity | 25.45299999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 103.063328528 g/mol | RDKit |
| Boiling Point | 70-73 °C @ 1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
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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 = 103.12 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H9NO2.
