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Molecule
Sodium Azide
CAS: 26628-22-8 · N3Na
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 26628-22-8
- Molecular Formula
- N3Na
- Molecular Mass
- 65.01 g/mol
Identifiers
CAS Registry Number
26628-22-8
SMILES
[N]N=[N-].[Na+]
InChI Key
PXIPVTKHYLBLMZ-UHFFFAOYSA-N
InChI
InChI=1S/N3.Na/c1-3-2;/q-1;+1
Names and Synonyms
- Sodium Azide Synonym
- Sodium azide (Na(N3)) Synonym
- Sodium azide Synonym
- Hydrazoic acid, sodium salt Synonym
- Nemazyd Synonym
- NSC 3072 Synonym
- SEP 100 Synonym
- Agrizide Synonym
- Micro-O-Protect Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 65.01 g/mol | CAS Common Chemistry |
| 65.011 g/mol | RDKit | |
| 69.043 g/mol | chempirical lib | |
| Density | 1.85 g/cm³ | CAS Common Chemistry |
| 1.846 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sodium_azide | CAS Common Chemistry |
| Canonical SMILES | [N-]=[N+]=N[Na] | CAS Common Chemistry |
| InChI | InChI=1S/N3.Na/c1-3-2;/q-1;+1 | CAS Common Chemistry |
| InChI Key | InChIKey=PXIPVTKHYLBLMZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 275 °C (decomp) | CAS Common Chemistry |
| Name | Sodium 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 | -3.0043 | RDKit |
| Molar Refractivity | 7.920999999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 64.99899128 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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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Quick conversion
MW = 65.01 g/mol; density = 1.850 g/mL. Edit any field — others recompute live.
