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1-[(1,1-Dimethylethyl)Dimethylsilyl]-1H-Imidazole
CAS: 54925-64-3 | C9H18N2Si
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
54925-64-3
Molecular Formula:
C9H18N2Si
Molecular Mass:
182.34 g/mol
Names and Synonyms:
1-[(1,1-Dimethylethyl)Dimethylsilyl]-1H-Imidazole
1H-Imidazole, 1-[(1,1-dimethylethyl)dimethylsilyl]-
1-[(1,1-Dimethylethyl)dimethylsilyl]-1H-imidazole
N-(tert-Butyldimethylsilyl)imidazole
1-(tert-Butyldimethylsilyl)imidazole
tert-Butyldimethylsilylimidazole
1-tert-Butyldimethylsilyl-1H-imidazole
Identifiers:
SMILES:
CC(C)(C)[Si](C)(C)n1ccnc1
InChI:
InChI=1S/C9H18N2Si/c1-9(2,3)12(4,5)11-7-6-10-8-11/h6-8H,1-5H3
Key Properties
Boiling Point
53 °C @ Press: 0.2 Torr
CAS Common Chemistry
Density
0.94 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 182.34 g/mol | CAS Common Chemistry |
| 182.34300000000002 g/mol | RDKit | |
| 182.12392510599997 g/mol | RDKit | |
| Density | 0.94 g/cm³ | CAS Common Chemistry |
| 0.939 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 53 °C @ Press: 0.2 Torr | CAS Common Chemistry |
| Canonical SMILES | N=1C=CN(C1)[Si](C)(C)C(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H18N2Si/c1-9(2,3)12(4,5)11-7-6-10-8-11/h6-8H,1-5H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VUENSYJCBOSTCS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-[(1,1-Dimethylethyl)dimethylsilyl]-1H-imidazole | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 17.82 Ų | RDKit |
| LogP | 2.7364000000000006 | RDKit |
| Molar Refractivity | 54.822000000000045 | RDKit |
