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Molecule
Propanoic Acid, Hydrazide
CAS: 5818-15-5 · C3H8N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5818-15-5
- Molecular Formula
- C3H8N2O
- Molecular Mass
- 88.11 g/mol
Identifiers
CAS Registry Number
5818-15-5
SMILES
CCC(O)=NN
InChI Key
DXGIRFAFSFKYCF-UHFFFAOYSA-N
InChI
InChI=1S/C3H8N2O/c1-2-3(6)5-4/h2,4H2,1H3,(H,5,6)
Names and Synonyms
- Propanoic Acid, Hydrazide Systematic Name
- Propiohydrazide Synonym
- Propanoic acid, hydrazide Synonym
- Propionic acid, hydrazide Synonym
- Propionylhydrazine Synonym
- Propanoic hydrazide Synonym
- Propionic hydrazide Synonym
- N-Propanoylhydrazine Synonym
- NSC 28448 Synonym
- Propionylhydrazide Synonym
- Propionohydrazide Synonym
- Propanehydrazide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 88.11 g/mol | CAS Common Chemistry |
| 88.11000000000001 g/mol | RDKit | |
| Canonical SMILES | O=C(NN)CC | CAS Common Chemistry |
| InChI | InChI=1S/C3H8N2O/c1-2-3(6)5-4/h2,4H2,1H3,(H,5,6) | CAS Common Chemistry |
| InChI Key | InChIKey=DXGIRFAFSFKYCF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 179-180 °C | CAS Common Chemistry |
| Name | Propanoic acid, hydrazide | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 58.61 Ų | RDKit |
| LogP | 0.2266000000000002 | RDKit |
| 0.2266 | RDKit | |
| Molar Refractivity | 24.542199999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 88.063662876 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 = 88.11 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H8N2O.
