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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 Mass:
74.08 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)
Key Properties
Boiling Point
137 °C
CAS Common Chemistry
Melting Point
67 °C
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 | 74.08 g/mol | CAS Common Chemistry |
| 74.08300000000001 g/mol | RDKit | |
| 74.048012812 g/mol | RDKit | |
| Boiling Point | 137 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(NN)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H6N2O/c1-2(5)4-3/h3H2,1H3,(H,4,5) | CAS Common Chemistry |
| InChI Key | InChIKey=OFLXLNCGODUUOT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 67 °C | CAS Common Chemistry |
| Name | Acetohydrazide | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 58.61 Ų | RDKit |
| LogP | -0.16349999999999987 | RDKit |
| Molar Refractivity | 19.925200000000004 | RDKit |
