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Molecule
Caesium Azide
CAS: 22750-57-8 · CsN3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 22750-57-8
- Molecular Formula
- CsN3
- Molecular Mass
- 174.93 g/mol
Identifiers
CAS Registry Number
22750-57-8
SMILES
[Cs+].[N]N=[N-]
InChI Key
AYTVLULEEPNWAX-UHFFFAOYSA-N
InChI
InChI=1S/Cs.N3/c;1-3-2/q+1;-1
Names and Synonyms
- Caesium Azide Common Name
- Cesium azide (Cs(N3)) Synonym
- Cesium azide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 174.93 g/mol | CAS Common Chemistry |
| 174.92600000000002 g/mol | RDKit | |
| 174.926 g/mol | RDKit | |
| 178.958 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Caesium_azide | CAS Common Chemistry |
| Canonical SMILES | [N-]=[N+]=N[Cs] | CAS Common Chemistry |
| InChI | InChI=1S/Cs.N3/c;1-3-2/q+1;-1 | CAS Common Chemistry |
| InChI Key | InChIKey=AYTVLULEEPNWAX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Cesium azide | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 56.959999999999994 Ų | RDKit |
| 56.96 Ų | RDKit | |
| 62.17 Ų | chempirical lib | |
| LogP | -3.0042999999999997 | RDKit |
| -3.0043 | RDKit | |
| Molar Refractivity | 7.920999999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 174.9146739 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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MW = 174.93 g/mol. Edit any field — others recompute live.
