Back to Search
Oxalyldihydrazide
CAS: 996-98-5 | C2H6N4O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
996-98-5
Molecular Formula:
C2H6N4O2
Molecular Weight:
118.096 g/mol
Names and Synonyms:
Oxalyldihydrazide
Oxaloyldihydrazine
NSC 264
Oxaloyl dihydrazide
Oxalic acid bishydrazide
Oxalic acid hydrazide
Oxaloylhydrazine
Oxalic dihydrazide
Oxalyl dihydrazide
Oxalhydrazide
Oxalyl hydrazide
Oxaldihydrazide
Ethanedioic acid, dihydrazide
Oxalic acid, dihydrazide
Ethanedioic acid, 1,2-dihydrazide
Identifiers:
SMILES:
NNC(=O)C(=O)NN
InChI:
InChI=1S/C2H6N4O2/c3-5-1(7)2(8)6-4/h3-4H2,(H,5,7)(H,6,8)
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 | 118.10 g/mol | Legacy Database |
| density | 1.46 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Oxalyldihydrazide None | Legacy Database |
| cas-canonical-smile | O=C(NN)C(=O)NN None | Legacy Database |
| cas-density | 1.458 g/cm3 @ Temp: -5 °C None | Legacy Database |
| cas-inchi | InChI=1S/C2H6N4O2/c3-5-1(7)2(8)6-4/h3-4H2,(H,5,7)(H,6,8) None | Legacy Database |
| cas-inchi-key | InChIKey=SWRGUMCEJHQWEE-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 243 °C (decomp) None | Legacy Database |
| cas-name | Oxalic acid, dihydrazide None | Legacy Database |
| wikipedia-name | Oxalyldihydrazide None | Legacy Database |
| LogP | -3.0338000000000003 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 118.096 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 118.049075432 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 4 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 | 110.24 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 24.66020000000001 | RDKit |
