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Cyazid
CAS: 140-87-4 | C3H5N3O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
140-87-4
Molecular Formula:
C3H5N3O
Molecular Weight:
99.093 g/mol
Names and Synonyms:
Cyazid
Acetic acid, 2-cyano-, hydrazide
Cyanoacetic Acid Hydrazide
Acetic acid, cyano-, hydrazide
AB-42
Armazal
Cyacetacide
Cyacetazide
Cyanacethydrazide
Cyanacetic acid hydrazide
Cyanacetohydrazide
Cyanacetylhydrazide
Cyanazide
Cyanizide
Cyanoacetic acid hydrazide
Cyanoacetohydrazide
Cyazide
Dictycide
Dictyzide
Helmox
Hidacian
Leandin
Malonitrile hydrazide
Malononitrile hydrazide
Neohydrazid
Reacid
Reazide
Cyanoacethydrazide
α-Cyanoacetohydrazide
Cyanoacetyl hydrazide
(Cyanoacetyl)hydrazine
Mackreazid
Tsiazid
Cyacetazid
Reazid
Cianazil
Cyacetacid
Hidaciann
2-Cyanoacetohydrazide
Cyanoacetic hydrazide
(α-Cyanoacetyl)hydrazine
Cyanoethanoic hydrazide
2-Cyanoacethydrazide
2-Cyanoacetylhydrazide
NSC 24261
2-Cyano acetyl hydrazine
2-Cyanoacetic acid hydrazide
Identifiers:
SMILES:
N#CCC(O)=NN
InChI:
InChI=1S/C3H5N3O/c4-2-1-3(7)6-5/h1,5H2,(H,6,7)
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 | 99.09 g/mol | Legacy Database |
| cas-canonical-smile | N#CCC(=O)NN None | Legacy Database |
| cas-inchi | InChI=1S/C3H5N3O/c4-2-1-3(7)6-5/h1,5H2,(H,6,7) None | Legacy Database |
| cas-inchi-key | InChIKey=HPHBOJANXDKUQD-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 114.5-115 °C None | Legacy Database |
| cas-name | Cyanoacetic acid hydrazide None | Legacy Database |
| LogP | -0.26971999999999985 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 99.093 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 99.04326178 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 82.39999999999999 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 24.4812 | RDKit |
