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N-[3-(Triethoxysilyl)Propyl]-4,5-Dihydroimidazole
CAS: 58068-97-6 | C12H26N2O3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
58068-97-6
Molecular Formula:
C12H26N2O3Si
Molecular Mass:
274.44 g/mol
Names and Synonyms:
N-[3-(Triethoxysilyl)Propyl]-4,5-Dihydroimidazole
1H-Imidazole, 4,5-dihydro-1-[3-(triethoxysilyl)propyl]-
4,5-Dihydro-1-[3-(triethoxysilyl)propyl]-1H-imidazole
3-(Triethoxysilylpropyl)imidazoline
Dynasylan IMEO
N-[3-(Triethoxysilyl)propyl]-4,5-dihydroimidazole
[3-(2-Imidazolin-1-yl)propyl]triethoxysilane
Triethoxy(3-(2-imidazolin-1-yl)propyl)silane
3-(4,5-Dihydroimidazol-1-yl)propyltriethoxysilane
1-[3-(Triethoxysilyl)propyl]-2-imidazoline
[3-(4,5-Dihydro-1H-imidazol-1-yl)propyl]triethoxysilane
Triethoxy[3-(4,5-dihydro-1H-imidazol-1-yl)propyl]silane
1-[3-(Triethoxysilyl)propyl]-4,5-dihydro-1H-imidazole
SIT 8187.5
Identifiers:
SMILES:
CCO[Si](CCCN1C=NCC1)(OCC)OCC
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
Key Properties
Boiling Point
134 °C @ Press: 2 Torr
CAS Common Chemistry
Density
1.01 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 | 274.44 g/mol | CAS Common Chemistry |
| 274.437 g/mol | RDKit | |
| 274.17126922200003 g/mol | RDKit | |
| Density | 1.01 g/cm³ | CAS Common Chemistry |
| 1.005 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 134 °C @ Press: 2 Torr | 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 |
| LogP | 1.7687999999999997 | RDKit |
| Molar Refractivity | 74.98800000000006 | RDKit |
