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Trimethylsilyl Azide
CAS: 4648-54-8 | C3H9N3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4648-54-8
Molecular Formula:
C3H9N3Si
Molecular Weight:
115.212 g/mol
Names and Synonyms:
Trimethylsilyl Azide
Trimethylazidosilane
Trimethylsilicon azide
Trimethylsilyl azide
Azidotrimethylsilane
Silane, azidotrimethyl-
Identifiers:
SMILES:
C[Si](C)(C)N=[N+]=[N-]
InChI:
InChI=1S/C3H9N3Si/c1-7(2,3)6-5-4/h1-3H3
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 |
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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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 115.21 g/mol | Legacy Database |
| density | 0.88 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Trimethylsilyl_azide None | Legacy Database |
| cas-boiling-point | 95-96 °C None | Legacy Database |
| cas-canonical-smile | [N-]=[N+]=N[Si](C)(C)C None | Legacy Database |
| cas-density | 0.876 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C3H9N3Si/c1-7(2,3)6-5-4/h1-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=SEDZOYHHAIAQIW-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -95 °C None | Legacy Database |
| cas-name | Azidotrimethylsilane None | Legacy Database |
| wikipedia-name | Trimethylsilyl azide None | Legacy Database |
| LogP | 2.1315999999999997 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 115.212 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 115.05657381799999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 48.760000000000005 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 32.49199999999999 | RDKit |
