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Acetohydrazide
CAS: 1068-57-1 | C2H6N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1068-57-1
Molecular Formula:
C2H6N2O
Molecular Weight:
74.08300000000001 g/mol
Names and Synonyms:
Acetohydrazide
Acetic acid, hydrazide
Acetic acid hydrazide
Acetyl hydrazide
Hydrazine, acetyl-
Acethydrazide
Monoacetylhydrazine
Acetohydrazide
Acetylhydrazine
ENT-61241
Ethanehydrazonic acid
NSC 53155
Acetic hydrazide
Acetohydrazine
NSC 2271
Acetocarbazate
Identifiers:
SMILES:
CC(O)=NN
InChI:
InChI=1S/C2H6N2O/c1-2(5)4-3/h3H2,1H3,(H,4,5)
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 | 74.08 g/mol | Legacy Database |
| cas-boiling-point | 137 °C None | Legacy Database |
| cas-canonical-smile | O=C(NN)C None | Legacy Database |
| cas-inchi | InChI=1S/C2H6N2O/c1-2(5)4-3/h3H2,1H3,(H,4,5) None | Legacy Database |
| cas-inchi-key | InChIKey=OFLXLNCGODUUOT-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 67 °C None | Legacy Database |
| cas-name | Acetohydrazide None | Legacy Database |
| LogP | -0.16349999999999987 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 74.08300000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 74.048012812 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 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 | 58.61 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 19.925200000000004 | RDKit |
