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Molecule
Acetohydrazide
CAS: 1068-57-1 · C2H6N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1068-57-1
- Molecular Formula
- C2H6N2O
- Molecular Mass
- 74.08 g/mol
Identifiers
CAS Registry Number
1068-57-1
SMILES
CC(O)=NN
InChI Key
OFLXLNCGODUUOT-UHFFFAOYSA-N
InChI
InChI=1S/C2H6N2O/c1-2(5)4-3/h3H2,1H3,(H,4,5)
Names and Synonyms
- Acetohydrazide Synonym
- Acetic acid, hydrazide Synonym
- Acetic acid hydrazide Synonym
- Acetyl hydrazide Synonym
- Hydrazine, acetyl- Synonym
- Acethydrazide Synonym
- Monoacetylhydrazine Synonym
- Acetohydrazide Synonym
- Acetylhydrazine Synonym
- ENT-61241 Synonym
- Ethanehydrazonic acid Synonym
- NSC 53155 Synonym
- Acetic hydrazide Synonym
- Acetohydrazine Synonym
- NSC 2271 Synonym
- Acetocarbazate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 74.08 g/mol | CAS Common Chemistry |
| 74.08300000000001 g/mol | RDKit | |
| 74.083 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 |
| -0.1635 | RDKit | |
| Molar Refractivity | 19.925200000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 74.048012812 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 74.08 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C2H6N2O.
