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Molecule
2-Amino-2-Oxoacetic Acid Hydrazide
CAS: 515-96-8 · C2H5N3O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 515-96-8
- Molecular Formula
- C2H5N3O2
- Molecular Mass
- 103.08 g/mol
Identifiers
CAS Registry Number
515-96-8
SMILES
NNC(=O)C(N)=O
InChI Key
MOKRDWKSHLLYKM-UHFFFAOYSA-N
InChI
InChI=1S/C2H5N3O2/c3-1(6)2(7)5-4/h4H2,(H2,3,6)(H,5,7)
Names and Synonyms
- 2-Amino-2-Oxoacetic Acid Hydrazide Systematic Name
- Acetic acid, 2-amino-2-oxo-, hydrazide Synonym
- Semioxamazide Synonym
- Acetic acid, aminooxo-, hydrazide Synonym
- 2-Amino-2-oxoacetic acid hydrazide Synonym
- Aminooxamide Synonym
- Oxamic acid hydrazide Synonym
- Semioxamazid Synonym
- Oxamic hydrazide Synonym
- N-Aminooxamide Synonym
- Carbamoylformic acid hydrazide Synonym
- NSC 45889 Synonym
- 2-Hydrazinyl-2-oxoacetamide Synonym
- 1-(Hydrazinecarbonyl)formamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 103.08 g/mol | CAS Common Chemistry |
| 103.081 g/mol | RDKit | |
| Canonical SMILES | O=C(N)C(=O)NN | CAS Common Chemistry |
| InChI | InChI=1S/C2H5N3O2/c3-1(6)2(7)5-4/h4H2,(H2,3,6)(H,5,7) | CAS Common Chemistry |
| InChI Key | InChIKey=MOKRDWKSHLLYKM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 221 °C (decomp) | CAS Common Chemistry |
| Name | 2-Amino-2-oxoacetic acid hydrazide | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 98.21000000000001 Ų | RDKit |
| 98.21 Ų | RDKit | |
| LogP | -2.5384000000000007 | RDKit |
| -2.5384 | RDKit | |
| Molar Refractivity | 21.524500000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 103.0381764 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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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.
External Resources
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MW = 103.08 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C2H5N3O2.
