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Molecule
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 Mass
- 88.07 g/mol
Identifiers
CAS Registry Number
471-46-5
SMILES
NC(=O)C(N)=O
InChI Key
YIKSCQDJHCMVMK-UHFFFAOYSA-N
InChI
InChI=1S/C2H4N2O2/c3-1(5)2(4)6/h(H2,3,5)(H2,4,6)
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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 88.07 g/mol | CAS Common Chemistry |
| 88.066 g/mol | RDKit | |
| Density | 1.67 g/cm³ | CAS Common Chemistry |
| 1.667 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Oxamide | CAS Common Chemistry |
| Canonical SMILES | O=C(N)C(=O)N | CAS Common Chemistry |
| InChI | InChI=1S/C2H4N2O2/c3-1(5)2(4)6/h(H2,3,5)(H2,4,6) | CAS Common Chemistry |
| InChI Key | InChIKey=YIKSCQDJHCMVMK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 350 °C (decomp) | CAS Common Chemistry |
| Name | Oxamide | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 86.18 Ų | RDKit |
| LogP | -2.043 | RDKit |
| Molar Refractivity | 18.388800000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 88.027277368 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 88.07 g/mol; density = 1.670 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C2H4N2O2.
