Back to Search
2-Amino-2-Oxoacetic Acid Hydrazide
CAS: 515-96-8 | C2H5N3O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
515-96-8
Molecular Formula:
C2H5N3O2
Molecular Weight:
103.081 g/mol
Names and Synonyms:
2-Amino-2-Oxoacetic Acid Hydrazide
1-(Hydrazinecarbonyl)formamide
2-Hydrazinyl-2-oxoacetamide
NSC 45889
Carbamoylformic acid hydrazide
N-Aminooxamide
Oxamic hydrazide
Semioxamazid
Oxamic acid hydrazide
Aminooxamide
2-Amino-2-oxoacetic acid hydrazide
Acetic acid, aminooxo-, hydrazide
Semioxamazide
Acetic acid, 2-amino-2-oxo-, hydrazide
Identifiers:
SMILES:
NNC(=O)C(N)=O
InChI:
InChI=1S/C2H5N3O2/c3-1(6)2(7)5-4/h4H2,(H2,3,6)(H,5,7)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
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 |
|---|
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 103.08 g/mol | Legacy Database |
| cas-canonical-smile | O=C(N)C(=O)NN None | Legacy Database |
| cas-inchi | InChI=1S/C2H5N3O2/c3-1(6)2(7)5-4/h4H2,(H2,3,6)(H,5,7) None | Legacy Database |
| cas-inchi-key | InChIKey=MOKRDWKSHLLYKM-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 221 °C (decomp) None | Legacy Database |
| cas-name | 2-Amino-2-oxoacetic acid hydrazide None | Legacy Database |
| LogP | -2.5384000000000007 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 103.081 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 103.0381764 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 3 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 | 98.21000000000001 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 21.524500000000007 | RDKit |
