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Molecule
N-[3-(Triethoxysilyl)Propyl]-4,5-Dihydroimidazole
CAS: 58068-97-6 · C12H26N2O3Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 58068-97-6
- Molecular Formula
- C12H26N2O3Si
- Molecular Mass
- 274.44 g/mol
Identifiers
CAS Registry Number
58068-97-6
SMILES
CCO[Si](CCCN1C=NCC1)(OCC)OCC
InChI Key
WBUSESIMOZDSHU-UHFFFAOYSA-N
InChI
InChI=1S/C12H26N2O3Si/c1-4-15-18(16-5-2,17-6-3)11-7-9-14-10-8-13-12-14/h12H,4-11H2,1-3H3
Names and Synonyms
- N-[3-(Triethoxysilyl)Propyl]-4,5-Dihydroimidazole Systematic Name
- 1H-Imidazole, 4,5-dihydro-1-[3-(triethoxysilyl)propyl]- Synonym
- 4,5-Dihydro-1-[3-(triethoxysilyl)propyl]-1H-imidazole Synonym
- 3-(Triethoxysilylpropyl)imidazoline Synonym
- Dynasylan IMEO Synonym
- N-[3-(Triethoxysilyl)propyl]-4,5-dihydroimidazole Synonym
- [3-(2-Imidazolin-1-yl)propyl]triethoxysilane Synonym
- Triethoxy(3-(2-imidazolin-1-yl)propyl)silane Synonym
- 3-(4,5-Dihydroimidazol-1-yl)propyltriethoxysilane Synonym
- 1-[3-(Triethoxysilyl)propyl]-2-imidazoline Synonym
- [3-(4,5-Dihydro-1H-imidazol-1-yl)propyl]triethoxysilane Synonym
- Triethoxy[3-(4,5-dihydro-1H-imidazol-1-yl)propyl]silane Synonym
- 1-[3-(Triethoxysilyl)propyl]-4,5-dihydro-1H-imidazole Synonym
- SIT 8187.5 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 274.44 g/mol | CAS Common Chemistry |
| 274.437 g/mol | RDKit | |
| Density | 1.01 g/cm³ | CAS Common Chemistry |
| 1.005 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | N1=CN(CC1)CCC[Si](OCC)(OCC)OCC | CAS Common Chemistry |
| InChI | InChI=1S/C12H26N2O3Si/c1-4-15-18(16-5-2,17-6-3)11-7-9-14-10-8-13-12-14/h12H,4-11H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WBUSESIMOZDSHU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-[3-(Triethoxysilyl)propyl]-4,5-dihydroimidazole | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 43.290000000000006 Ų | RDKit |
| 43.29 Ų | RDKit | |
| 43.06 Ų | chempirical lib | |
| LogP | 1.7687999999999997 | RDKit |
| 1.7688 | RDKit | |
| Molar Refractivity | 74.98800000000006 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9167 | RDKit |
| 0.92 | chempirical lib | |
| Exact Mass | 274.17126922200003 g/mol | RDKit |
| Boiling Point | 134 °C @ 2 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
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MW = 274.44 g/mol; density = 1.010 g/mL. Edit any field — others recompute live.
