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Trimethylsilyl Cyanide
CAS: 7677-24-9 | C4H9NSi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7677-24-9
Molecular Formula:
C4H9NSi
Molecular Weight:
99.20899999999999 g/mol
Names and Synonyms:
Trimethylsilyl Cyanide
Silanecarbonitrile, trimethyl-
Silane, cyanotrimethyl-
Trimethylsilanecarbonitrile
Trimethylsilyl cyanide
Cyanotrimethylsilane
Trimethylcyanosilane
Trimethylsilylcarbonitrile
Trimethylsilyl nitrile
Trimethylsilylformonitrile
Identifiers:
SMILES:
C[Si](C)(C)C#N
InChI:
InChI=1S/C4H9NSi/c1-6(2,3)4-5/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 |
|---|
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 | 99.21 g/mol | Legacy Database |
| density | 0.74 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Trimethylsilyl_cyanide None | Legacy Database |
| cas-boiling-point | 118-119 °C None | Legacy Database |
| cas-canonical-smile | N#C[Si](C)(C)C None | Legacy Database |
| cas-density | 0.744 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C4H9NSi/c1-6(2,3)4-5/h1-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=LEIMLDGFXIOXMT-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 11-12 °C None | Legacy Database |
| cas-name | Trimethylsilyl cyanide None | Legacy Database |
| wikipedia-name | Trimethylsilyl cyanide None | Legacy Database |
| LogP | 1.3873799999999998 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 99.20899999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 99.050425818 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 23.79 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 28.958999999999985 | RDKit |
