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Molecule
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
Identifiers
CAS Registry Number
557-21-1
SMILES
[C]#N.[C]#N.[Zn]
InChI Key
VJHHEOJUJAQMPF-UHFFFAOYSA-N
InChI
InChI=1S/2CN.Zn/c2*1-2;
Names and Synonyms
- Zinc Cyanide Synonym
- Zinc cyanide (Zn(CN)2) Synonym
- Zinc cyanide Synonym
- Zinc dicyanide Synonym
- Dicyanozinc Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 117.43 g/mol | CAS Common Chemistry |
| 117.42599999999999 g/mol | RDKit | |
| 117.426 g/mol | RDKit | |
| 121.448 g/mol | chempirical lib | |
| Density | 1.85 g/cm³ | CAS Common Chemistry |
| 1.852 g/cm3 @ 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 |
| 0.1902 | RDKit | |
| Molar Refractivity | 9.936 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 115.9352902 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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.
External Resources
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Quick conversion
MW = 117.43 g/mol; density = 1.850 g/mL. Edit any field — others recompute live.
