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N-Methylacetamide
CAS: 79-16-3 | C3H7NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
79-16-3
Molecular Formula:
C3H7NO
Molecular Weight:
73.09499999999998 g/mol
Names and Synonyms:
N-Methylacetamide
Common Name
ACE-NME
Synonym
NSC 747
Synonym
Monomethylacetamide
Synonym
Methylacetamide
Synonym
N-Methylacetamide
Synonym
Acetamide, N-methyl-
Synonym
Identifiers:
SMILES:
CN=C(C)O
InChI:
InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)
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 |
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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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 73.10 g/mol | Legacy Database |
| density | 0.94 g/cm³ | Legacy Database |
| cas-boiling-point | 205 °C None | Legacy Database |
| cas-canonical-smile | O=C(NC)C None | Legacy Database |
| cas-density | 0.9371 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-inchi | InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5) None | Legacy Database |
| cas-inchi-key | InChIKey=OHLUUHNLEMFGTQ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 28 °C None | Legacy Database |
| LogP | 0.5926 | RDKit |
| cas-name | N-Methylacetamide None | Legacy Database |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 73.09499999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 73.052763844 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 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 | 32.59 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 21.661799999999996 | RDKit |