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Sodium Cyanide
CAS: 143-33-9 | CNNa
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
143-33-9
Molecular Formula:
CNNa
Molecular Weight:
49.007999999999996 g/mol
Names and Synonyms:
Sodium Cyanide
Common Name
NSC 77379
Synonym
Cyanasalt S
Synonym
Cyanasalt H
Synonym
Natrium cyanide
Synonym
Cymag
Synonym
Sodium cyanide
Synonym
Sodium cyanide (Na(CN))
Synonym
Identifiers:
SMILES:
[C]#N.[Na]
InChI:
InChI=1S/CN.Na/c1-2;
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
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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.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 49.01 g/mol | Legacy Database |
| density | 1.60 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Sodium_cyanide None | Legacy Database |
| cas-boiling-point | 1496 °C None | Legacy Database |
| cas-canonical-smile | N#C[Na] None | Legacy Database |
| cas-density | 1.595 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/CN.Na/c1-2; None | Legacy Database |
| cas-inchi-key | InChIKey=RTVFYQXEHKQMKO-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 563 °C None | Legacy Database |
| cas-name | Sodium cyanide None | Legacy Database |
| wikipedia-name | Sodium cyanide None | Legacy Database |
| LogP | -0.28443 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 49.007999999999996 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 48.99284328 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 3 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 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 | 23.79 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 10.722 | RDKit |