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Sodium Cyanate
CAS: 917-61-3 | CHNNaO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
917-61-3
Molecular Formula:
CHNNaO
Molecular Weight:
66.015 g/mol
Names and Synonyms:
Sodium Cyanate
Synonym
Cyanic acid, sodium salt (1:1)
Synonym
Sodium cyanate
Synonym
Cyanic acid, sodium salt
Synonym
Zassol
Synonym
Sodium cyanate (NaOCN)
Synonym
Sodium isocyanate
Synonym
Sodium cyanate (NaNCO)
Synonym
Sodium, (cyanato-κN)-
Synonym
Identifiers:
SMILES:
N#CO.[Na]
InChI:
InChI=1S/CHNO.Na/c2-1-3;/h3H;
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 | 66.02 g/mol | Legacy Database |
| density | 1.89 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Sodium_cyanate None | Legacy Database |
| cas-canonical-smile | [Na].N#CO None | Legacy Database |
| cas-density | 1.893 g/cm3 @ Temp: 204 °C None | Legacy Database |
| cas-inchi | InChI=1S/CHNO.Na/c2-1-3;/h3H; None | Legacy Database |
| cas-inchi-key | InChIKey=VXCSPBPIGBJXJR-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 550 °C None | Legacy Database |
| cas-name | Sodium cyanate None | Legacy Database |
| wikipedia-name | Sodium cyanate None | Legacy Database |
| LogP | -0.54082 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 66.015 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 65.995582932 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 44.019999999999996 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 13.3028 | RDKit |