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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 Mass:
82.12 g/mol
Names and Synonyms:
Calcium Cyanamide
Cyanamide, calcium salt (1:1)
Calcium cyanamide
Calcium carbimide
Cyanamid
Lime nitrogen
Nitrogen lime
Nitrolim
Nitrolime
CCC
Alzodef
Cy-L 500
Calcium cyanamide (CaCN2)
Perlka
Cyanoiminocalcium
Identifiers:
SMILES:
N#CN.[Ca]
InChI:
InChI=1S/CH2N2.Ca/c2-1-3;/h2H2;
Key Properties
Melting Point
1340 °C
CAS Common Chemistry
Density
2.29 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 | 82.12 g/mol | CAS Common Chemistry |
| 82.119 g/mol | RDKit | |
| 81.984389044 g/mol | RDKit | |
| Density | 2.29 g/cm³ | CAS Common Chemistry |
| 2.29 g/cm3 @ Temp: 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 |
| Molar Refractivity | 15.5544 | RDKit |
