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Molecule
Calcium Cyanamide
CAS: 156-62-7 · CH2CaN2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 156-62-7
- Molecular Formula
- CH2CaN2
- Molecular Mass
- 82.12 g/mol
Identifiers
CAS Registry Number
156-62-7
SMILES
N#CN.[Ca]
InChI Key
LHQWDZSUXOBDOJ-UHFFFAOYSA-N
InChI
InChI=1S/CH2N2.Ca/c2-1-3;/h2H2;
Names and Synonyms
- Calcium Cyanamide Common Name
- Cyanamide, calcium salt (1:1) Synonym
- Calcium cyanamide Synonym
- Calcium carbimide Synonym
- Cyanamid Synonym
- Lime nitrogen Synonym
- Nitrogen lime Synonym
- Nitrolim Synonym
- Nitrolime Synonym
- CCC Synonym
- Alzodef Synonym
- Cy-L 500 Synonym
- Calcium cyanamide (CaCN2) Synonym
- Perlka Synonym
- Cyanoiminocalcium Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 82.12 g/mol | CAS Common Chemistry |
| 82.119 g/mol | RDKit | |
| 84.135 g/mol | chempirical lib | |
| Density | 2.29 g/cm³ | CAS Common Chemistry |
| 2.29 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Calcium_cyanamide | CAS Common Chemistry |
| Canonical SMILES | [Ca].N#CN | CAS Common Chemistry |
| InChI | InChI=1S/CH2N2.Ca/c2-1-3;/h2H2; | CAS Common Chemistry |
| InChI Key | InChIKey=LHQWDZSUXOBDOJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 1340 °C | CAS Common Chemistry |
| Name | Calcium cyanamide | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 49.81 Ų | RDKit |
| LogP | -0.95462 | RDKit |
| -0.9546 | RDKit | |
| Molar Refractivity | 15.5544 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 81.984389044 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
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 = 82.12 g/mol; density = 2.290 g/mL. Edit any field — others recompute live.
