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Molecule
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
Identifiers
CAS Registry Number
54925-64-3
SMILES
CC(C)(C)[Si](C)(C)n1ccnc1
InChI Key
VUENSYJCBOSTCS-UHFFFAOYSA-N
InChI
InChI=1S/C9H18N2Si/c1-9(2,3)12(4,5)11-7-6-10-8-11/h6-8H,1-5H3
Names and Synonyms
- 1-[(1,1-Dimethylethyl)Dimethylsilyl]-1H-Imidazole Systematic Name
- 1H-Imidazole, 1-[(1,1-dimethylethyl)dimethylsilyl]- Synonym
- 1-[(1,1-Dimethylethyl)dimethylsilyl]-1H-imidazole Synonym
- N-(tert-Butyldimethylsilyl)imidazole Synonym
- 1-(tert-Butyldimethylsilyl)imidazole Synonym
- tert-Butyldimethylsilylimidazole Synonym
- 1-tert-Butyldimethylsilyl-1H-imidazole Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 182.34 g/mol | CAS Common Chemistry |
| 182.34300000000002 g/mol | RDKit | |
| 182.343 g/mol | RDKit | |
| 183.351 g/mol | chempirical lib | |
| Density | 0.94 g/cm³ | CAS Common Chemistry |
| 0.939 g/cm3 | 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 |
| 1 | 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 |
| 2.7364 | RDKit | |
| 2.56 | chempirical lib | |
| Molar Refractivity | 54.822000000000045 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| Exact Mass | 182.12392510599997 g/mol | RDKit |
| Boiling Point | 53 °C @ 0.2 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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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MW = 182.34 g/mol; density = 0.940 g/mL. Edit any field — others recompute live.
