Back to Search
3-Cyanopropyltriethoxysilane
CAS: 1067-47-6 | C10H21NO3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1067-47-6
Molecular Formula:
C10H21NO3Si
Molecular Mass:
231.37 g/mol
Names and Synonyms:
3-Cyanopropyltriethoxysilane
Butanenitrile, 4-(triethoxysilyl)-
Butyronitrile, 4-(triethoxysilyl)-
4-(Triethoxysilyl)butanenitrile
3-Cyanopropyltriethoxysilane
4-(Triethoxysilyl)butyronitrile
γ-Cyanopropyltriethoxysilane
GH 520
1-Cyano-3-triethoxysilylpropane
Identifiers:
SMILES:
CCO[Si](CCCC#N)(OCC)OCC
InChI:
InChI=1S/C10H21NO3Si/c1-4-12-15(13-5-2,14-6-3)10-8-7-9-11/h4-8,10H2,1-3H3
Key Properties
Boiling Point
79-80 °C @ Press: 0.6 Torr
CAS Common Chemistry
Density
0.96 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 | 231.37 g/mol | CAS Common Chemistry |
| 231.36799999999994 g/mol | RDKit | |
| 231.129070062 g/mol | RDKit | |
| Density | 0.96 g/cm³ | CAS Common Chemistry |
| 0.961 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 79-80 °C @ Press: 0.6 Torr | CAS Common Chemistry |
| Canonical SMILES | N#CCCC[Si](OCC)(OCC)OCC | CAS Common Chemistry |
| InChI | InChI=1S/C10H21NO3Si/c1-4-12-15(13-5-2,14-6-3)10-8-7-9-11/h4-8,10H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VGIURMCNTDVGJM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3-Cyanopropyltriethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 51.480000000000004 Ų | RDKit |
| LogP | 2.3385800000000003 | RDKit |
| Molar Refractivity | 60.286000000000044 | RDKit |
