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Calcium Cyanamide
CAS: 156-62-7 | CH2CaN2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
156-62-7
Molecular Formula:
CH2CaN2
Molecular Weight:
82.119 g/mol
Names and Synonyms:
Calcium Cyanamide
Common Name
Cyanoiminocalcium
Synonym
Perlka
Synonym
Calcium cyanamide (CaCN2)
Synonym
Cy-L 500
Synonym
Alzodef
Synonym
CCC
Synonym
Nitrolime
Synonym
Nitrolim
Synonym
Nitrogen lime
Synonym
Lime nitrogen
Synonym
Cyanamid
Synonym
Calcium carbimide
Synonym
Calcium cyanamide
Synonym
Cyanamide, calcium salt (1:1)
Synonym
Identifiers:
SMILES:
N#CN.[Ca]
InChI:
InChI=1S/CH2N2.Ca/c2-1-3;/h2H2;
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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120
100
80
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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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 82.119 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 81.984389044 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 | 49.81 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.95462 | RDKit |
| molecular_mass | 82.12 g/mol | Legacy Database |
| density | 2.29 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Calcium_cyanamide None | Legacy Database |
| cas-canonical-smile | [Ca].N#CN None | Legacy Database |
| cas-density | 2.29 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/CH2N2.Ca/c2-1-3;/h2H2; None | Legacy Database |
| cas-inchi-key | InChIKey=LHQWDZSUXOBDOJ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 1340 °C None | Legacy Database |
| cas-name | Calcium cyanamide None | Legacy Database |
| wikipedia-name | Calcium cyanamide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 15.5544 | RDKit |