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Oxamide
CAS: 471-46-5 | C2H4N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
471-46-5
Molecular Formula:
C2H4N2O2
Molecular Weight:
88.066 g/mol
Names and Synonyms:
Oxamide
Synonym
Ethanediamide
Synonym
Oxamide
Synonym
Oxalamide
Synonym
Oxamimidic acid
Synonym
Oxalic acid diamide
Synonym
Diaminoglyoxal
Synonym
Oxamic acid amide
Synonym
NSC 2770
Synonym
Identifiers:
SMILES:
NC(=O)C(N)=O
InChI:
InChI=1S/C2H4N2O2/c3-1(5)2(4)6/h(H2,3,5)(H2,4,6)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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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
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Donors | 2 count | RDKit |
| Hydrogen Bond Acceptors | 2 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 | 86.18 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -2.043 | RDKit |
| cas-canonical-smile | O=C(N)C(=O)N None | Legacy Database |
| density | 1.67 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Oxamide None | Legacy Database |
| molecular_mass | 88.07 g/mol | Legacy Database |
| cas-inchi | InChI=1S/C2H4N2O2/c3-1(5)2(4)6/h(H2,3,5)(H2,4,6) None | Legacy Database |
| cas-inchi-key | InChIKey=YIKSCQDJHCMVMK-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 350 °C (decomp) None | Legacy Database |
| cas-name | Oxamide None | Legacy Database |
| wikipedia-name | Oxamide None | Legacy Database |
| cas-density | 1.667 g/cm3 None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 18.388800000000003 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 88.066 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 88.027277368 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |