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Molecule
(Trimethylsilyl)Imidazole
CAS: 18156-74-6 · C6H12N2Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 18156-74-6
- Molecular Formula
- C6H12N2Si
- Molecular Mass
- 140.26 g/mol
Identifiers
CAS Registry Number
18156-74-6
SMILES
C[Si](C)(C)n1ccnc1
InChI Key
YKFRUJSEPGHZFJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H12N2Si/c1-9(2,3)8-5-4-7-6-8/h4-6H,1-3H3
Names and Synonyms
- (Trimethylsilyl)Imidazole Synonym
- 1H-Imidazole, 1-(trimethylsilyl)- Synonym
- Imidazole, 1-(trimethylsilyl)- Synonym
- 1-(Trimethylsilyl)-1H-imidazole Synonym
- N-(Trimethylsilyl)imidazole Synonym
- (Trimethylsilyl)imidazole Synonym
- N-(Trimethylsilyl)imidazol Synonym
- 1-(Trimethylsilyl)imidazole Synonym
- TSIM Synonym
- 1-Imidazolyltrimethylsilane Synonym
- Trimethylimidazosilane Synonym
- TMSI Synonym
- NSC 139860 Synonym
- N-(Trimethylsilyl)-1H-imidazole Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 140.26 g/mol | CAS Common Chemistry |
| 140.262 g/mol | RDKit | |
| 141.27 g/mol | chempirical lib | |
| Density | 0.96 g/cm³ | CAS Common Chemistry |
| 0.956 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | N=1C=CN(C1)[Si](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H12N2Si/c1-9(2,3)8-5-4-7-6-8/h4-6H,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YKFRUJSEPGHZFJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 105-106 °C | CAS Common Chemistry |
| Name | (Trimethylsilyl)imidazole | CAS Common Chemistry |
| Heavy Atom Count | 9 | 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 | 1.5660999999999998 | RDKit |
| 1.5661 | RDKit | |
| Molar Refractivity | 40.97100000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 140.076974914 g/mol | RDKit |
| Boiling Point | 99 °C @ 14 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 140.26 g/mol; density = 0.960 g/mL. Edit any field — others recompute live.
