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(2-Cyanoethyl)Triethoxysilane
CAS: 919-31-3 | C9H19NO3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
919-31-3
Molecular Formula:
C9H19NO3Si
Molecular Mass:
217.34 g/mol
Names and Synonyms:
(2-Cyanoethyl)Triethoxysilane
Propanenitrile, 3-(triethoxysilyl)-
Propionitrile, 3-(triethoxysilyl)-
3-(Triethoxysilyl)propanenitrile
(β-Cyanoethyl)triethoxysilane
(2-Cyanoethyl)triethoxysilane
3-(Triethoxysilyl)propionitrile
Cyanoethyltriethoxysilane
NSC 77092
Identifiers:
SMILES:
CCO[Si](CCC#N)(OCC)OCC
InChI:
InChI=1S/C9H19NO3Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10/h4-7,9H2,1-3H3
Key Properties
Boiling Point
224-225 °C
CAS Common Chemistry
Density
0.98 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 | 217.34 g/mol | CAS Common Chemistry |
| 217.34099999999995 g/mol | RDKit | |
| 217.11341999799998 g/mol | RDKit | |
| Density | 0.98 g/cm³ | CAS Common Chemistry |
| 0.979 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 224-225 °C | CAS Common Chemistry |
| Canonical SMILES | N#CCC[Si](OCC)(OCC)OCC | CAS Common Chemistry |
| InChI | InChI=1S/C9H19NO3Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10/h4-7,9H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GBQYMXVQHATSCC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (2-Cyanoethyl)triethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 51.480000000000004 Ų | RDKit |
| LogP | 1.94848 | RDKit |
| Molar Refractivity | 55.66900000000004 | RDKit |
