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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 Weight:
59.068000000000005 g/mol
Names and Synonyms:
Acetamide
Acetamide
Acetic acid amide
Ethanamide
Methanecarboxamide
Acetimidic acid
Ethanimidic acid
NSC 25945
Identifiers:
SMILES:
CC(=N)O
InChI:
InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
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| 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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 59.068000000000005 g/mol | RDKit |
| Exact | Exact Molecular Weight | 59.03711378 g/mol | RDKit |
| Heavy | Heavy Atom Count | 4 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit | |
| Rotatable | Rotatable Bonds | 0 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 44.08 Ų | RDKit |
| Physical Properties | LogP | 0.54157 | RDKit |
| molecular_mass | 59.07 g/mol | Legacy Database | |
| density | 1.16 g/cm³ | Legacy Database | |
| wikipedia_url | https://en.wikipedia.org/wiki/Acetamide | Legacy Database | |
| cas-boiling-point | 222 °C @ Press: 760 Torr | Legacy Database | |
| cas-canonical-smile | O=C(N)C | Legacy Database | |
| cas-density | 1.159 g/cm3 @ Temp: 20 °C | Legacy Database | |
| cas-inchi | InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4) | Legacy Database | |
| cas-inchi-key | InChIKey=DLFVBJFMPXGRIB-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 81 °C | Legacy Database | |
| cas-name | Acetamide | Legacy Database | |
| wikipedia-name | Acetamide | Legacy Database | |
| Molar | Molar Refractivity | 16.029500000000002 | RDKit |
