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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 Mass:
73.10 g/mol
Names and Synonyms:
N-Methylacetamide
Acetamide, N-methyl-
N-Methylacetamide
Methylacetamide
Monomethylacetamide
NSC 747
ACE-NME
Identifiers:
SMILES:
CN=C(C)O
InChI:
InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)
Key Properties
Boiling Point
205 °C
CAS Common Chemistry
Melting Point
28 °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 | 73.10 g/mol | CAS Common Chemistry |
| 73.09499999999998 g/mol | RDKit | |
| 73.052763844 g/mol | RDKit | |
| Density | 0.94 g/cm³ | CAS Common Chemistry |
| 0.9371 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 205 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(NC)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5) | CAS Common Chemistry |
| InChI Key | InChIKey=OHLUUHNLEMFGTQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 28 °C | CAS Common Chemistry |
| Name | N-Methylacetamide | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.59 Ų | RDKit |
| LogP | 0.5926 | RDKit |
| Molar Refractivity | 21.661799999999996 | RDKit |
