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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 Mass:
118.10 g/mol
Names and Synonyms:
Oxalyldihydrazide
Ethanedioic acid, 1,2-dihydrazide
Oxalic acid, dihydrazide
Ethanedioic acid, dihydrazide
Oxaldihydrazide
Oxalyl hydrazide
Oxalhydrazide
Oxalyl dihydrazide
Oxalic dihydrazide
Oxaloylhydrazine
Oxalic acid hydrazide
Oxalic acid bishydrazide
Oxaloyl dihydrazide
NSC 264
Oxaloyldihydrazine
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)
Key Properties
Melting Point
243 °C (decomp)
CAS Common Chemistry
Density
1.46 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 118.10 g/mol | CAS Common Chemistry |
| 118.096 g/mol | RDKit | |
| 118.049075432 g/mol | RDKit | |
| Density | 1.46 g/cm³ | CAS Common Chemistry |
| 1.458 g/cm3 @ Temp: -5 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Oxalyldihydrazide | CAS Common Chemistry |
| Canonical SMILES | O=C(NN)C(=O)NN | CAS Common Chemistry |
| InChI | InChI=1S/C2H6N4O2/c3-5-1(7)2(8)6-4/h3-4H2,(H,5,7)(H,6,8) | CAS Common Chemistry |
| InChI Key | InChIKey=SWRGUMCEJHQWEE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 243 °C (decomp) | CAS Common Chemistry |
| Name | Oxalic acid, dihydrazide | CAS Common Chemistry |
| Oxalyldihydrazide | CAS Common Chemistry | |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 110.24 Ų | RDKit |
| LogP | -3.0338000000000003 | RDKit |
| Molar Refractivity | 24.66020000000001 | RDKit |
