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(Trimethylsilyl)Imidazole
CAS: 18156-74-6 | C6H12N2Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
18156-74-6
Molecular Formula:
C6H12N2Si
Molecular Weight:
140.262 g/mol
Names and Synonyms:
(Trimethylsilyl)Imidazole
1H-Imidazole, 1-(trimethylsilyl)-
Imidazole, 1-(trimethylsilyl)-
1-(Trimethylsilyl)-1H-imidazole
N-(Trimethylsilyl)imidazole
(Trimethylsilyl)imidazole
N-(Trimethylsilyl)imidazol
1-(Trimethylsilyl)imidazole
TSIM
1-Imidazolyltrimethylsilane
Trimethylimidazosilane
TMSI
NSC 139860
N-(Trimethylsilyl)-1H-imidazole
Identifiers:
SMILES:
C[Si](C)(C)n1ccnc1
InChI:
InChI=1S/C6H12N2Si/c1-9(2,3)8-5-4-7-6-8/h4-6H,1-3H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 140.262 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 140.076974914 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 17.82 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.5660999999999998 | RDKit |
| molecular_mass | 140.26 g/mol | Legacy Database |
| density | 0.96 g/cm³ | Legacy Database |
| cas-boiling-point | 99 °C @ Press: 14 Torr None | Legacy Database |
| cas-canonical-smile | N=1C=CN(C1)[Si](C)(C)C None | Legacy Database |
| cas-density | 0.956 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C6H12N2Si/c1-9(2,3)8-5-4-7-6-8/h4-6H,1-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=YKFRUJSEPGHZFJ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 105-106 °C None | Legacy Database |
| cas-name | (Trimethylsilyl)imidazole None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 40.97100000000001 | RDKit |
