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Molecule
Acetamide
CAS: 60-35-5 · C2H5NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 60-35-5
- Molecular Formula
- C2H5NO
- Molecular Mass
- 59.07 g/mol
Identifiers
CAS Registry Number
60-35-5
SMILES
CC(=N)O
InChI Key
DLFVBJFMPXGRIB-UHFFFAOYSA-N
InChI
InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)
Names and Synonyms
- Acetamide Synonym
- Acetamide Synonym
- Acetic acid amide Synonym
- Ethanamide Synonym
- Methanecarboxamide Synonym
- Acetimidic acid Synonym
- Ethanimidic acid Synonym
- NSC 25945 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 59.07 g/mol | CAS Common Chemistry |
| 59.068000000000005 g/mol | RDKit | |
| 59.068 g/mol | RDKit | |
| Density | 1.16 g/cm³ | CAS Common Chemistry |
| 1.159 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Acetamide | CAS Common Chemistry |
| Canonical SMILES | O=C(N)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=DLFVBJFMPXGRIB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 81 °C | CAS Common Chemistry |
| Name | Acetamide | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 44.08 Ų | RDKit |
| LogP | 0.54157 | RDKit |
| 0.5416 | RDKit | |
| Molar Refractivity | 16.029500000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 59.03711378 g/mol | RDKit |
| Boiling Point | 222 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 59.07 g/mol; density = 1.160 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C2H5NO.
