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Molecule
Cyanoacetic Acid Hydrazide
CAS: 140-87-4 · C3H5N3O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 140-87-4
- Molecular Formula
- C3H5N3O
- Molecular Mass
- 99.09 g/mol
Identifiers
CAS Registry Number
140-87-4
SMILES
N#CCC(O)=NN
InChI Key
HPHBOJANXDKUQD-UHFFFAOYSA-N
InChI
InChI=1S/C3H5N3O/c4-2-1-3(7)6-5/h1,5H2,(H,6,7)
Names and Synonyms
- Cyanoacetic Acid Hydrazide Synonym
- Acetic acid, 2-cyano-, hydrazide Synonym
- Acetic acid, cyano-, hydrazide Synonym
- AB-42 Synonym
- Armazal Synonym
- Cyacetacide Synonym
- Cyacetazide Synonym
- Cyanacethydrazide Synonym
- Cyanacetic acid hydrazide Synonym
- Cyanacetohydrazide Synonym
- Cyanacetylhydrazide Synonym
- Cyanazide Synonym
- Cyanizide Synonym
- Cyanoacetic acid hydrazide Synonym
- Cyanoacetohydrazide Synonym
- Cyazide Synonym
- Dictycide Synonym
- Dictyzide Synonym
- Helmox Synonym
- Hidacian Synonym
- Leandin Synonym
- Malonitrile hydrazide Synonym
- Malononitrile hydrazide Synonym
- Neohydrazid Synonym
- Reacid Synonym
- Reazide Synonym
- Cyanoacethydrazide Synonym
- α-Cyanoacetohydrazide Synonym
- Cyanoacetyl hydrazide Synonym
- (Cyanoacetyl)hydrazine Synonym
- Mackreazid Synonym
- Tsiazid Synonym
- Cyazid Synonym
- Cyacetazid Synonym
- Reazid Synonym
- Cianazil Synonym
- Cyacetacid Synonym
- Hidaciann Synonym
- 2-Cyanoacetohydrazide Synonym
- Cyanoacetic hydrazide Synonym
- (α-Cyanoacetyl)hydrazine Synonym
- Cyanoethanoic hydrazide Synonym
- 2-Cyanoacethydrazide Synonym
- 2-Cyanoacetylhydrazide Synonym
- NSC 24261 Synonym
- 2-Cyano acetyl hydrazine Synonym
- 2-Cyanoacetic acid hydrazide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 99.09 g/mol | CAS Common Chemistry |
| 99.093 g/mol | RDKit | |
| Canonical SMILES | N#CCC(=O)NN | CAS Common Chemistry |
| InChI | InChI=1S/C3H5N3O/c4-2-1-3(7)6-5/h1,5H2,(H,6,7) | CAS Common Chemistry |
| InChI Key | InChIKey=HPHBOJANXDKUQD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 114.5-115 °C | CAS Common Chemistry |
| Name | Cyanoacetic acid hydrazide | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 82.39999999999999 Ų | RDKit |
| 82.4 Ų | RDKit | |
| LogP | -0.26971999999999985 | RDKit |
| -0.2697 | RDKit | |
| Molar Refractivity | 24.4812 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 99.04326178 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 99.09 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H5N3O.
