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Zinc Cyanide
CAS: 557-21-1 | C2N2Zn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
557-21-1
Molecular Formula:
C2N2Zn
Molecular Mass:
117.43 g/mol
Names and Synonyms:
Zinc Cyanide
Zinc cyanide (Zn(CN)2)
Zinc cyanide
Zinc dicyanide
Dicyanozinc
Identifiers:
SMILES:
[C]#N.[C]#N.[Zn]
InChI:
InChI=1S/2CN.Zn/c2*1-2;
Key Properties
Melting Point
800 °C (decomp)
CAS Common Chemistry
Density
1.85 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 117.43 g/mol | CAS Common Chemistry |
| 117.42599999999999 g/mol | RDKit | |
| 115.9352902 g/mol | RDKit | |
| Density | 1.85 g/cm³ | CAS Common Chemistry |
| 1.852 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Zinc_cyanide | CAS Common Chemistry |
| Canonical SMILES | N#C[Zn]C#N | CAS Common Chemistry |
| InChI | InChI=1S/2CN.Zn/c2*1-2; | CAS Common Chemistry |
| InChI Key | InChIKey=VJHHEOJUJAQMPF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 800 °C (decomp) | CAS Common Chemistry |
| Name | Zinc cyanide | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 47.58 Ų | RDKit |
| LogP | 0.19024 | RDKit |
| Molar Refractivity | 9.936 | RDKit |
