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Molecule
Acetamide Oxime
CAS: 22059-22-9 · C2H6N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 22059-22-9
- Molecular Formula
- C2H6N2O
- Molecular Mass
- 74.08 g/mol
Identifiers
CAS Registry Number
22059-22-9
SMILES
CC(=N)NO
InChI Key
AEXITZJSLGALNH-UHFFFAOYSA-N
InChI
InChI=1S/C2H6N2O/c1-2(3)4-5/h5H,1H3,(H2,3,4)
Names and Synonyms
- Acetamide Oxime Common Name
- Ethanimidamide, N-hydroxy- Synonym
- Acetamidoxime Synonym
- Acetamide oxime Synonym
- Methylamidoxime Synonym
- N-Hydroxyacetamidine Synonym
- N-Hydroxyethanimidamide Synonym
- N′-Hydroxyethanimidamide Synonym
- N′-Hydroxyacetimidamide Synonym
- N′-Hydroxyacetamidine Synonym
- N-Hydroxyacetimidamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 74.08 g/mol | CAS Common Chemistry |
| 74.083 g/mol | RDKit | |
| Canonical SMILES | N=C(NO)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H6N2O/c1-2(3)4-5/h5H,1H3,(H2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=AEXITZJSLGALNH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 135 °C | CAS Common Chemistry |
| Name | Acetamide oxime | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 56.11 Ų | RDKit |
| LogP | -0.03763000000000011 | RDKit |
| -0.0376 | RDKit | |
| Molar Refractivity | 18.322900000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 74.048012812 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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 = 74.08 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C2H6N2O.
