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Molecule
(2-Cyanoethyl)Triethoxysilane
CAS: 919-31-3 · C9H19NO3Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 919-31-3
- Molecular Formula
- C9H19NO3Si
- Molecular Mass
- 217.34 g/mol
Identifiers
CAS Registry Number
919-31-3
SMILES
CCO[Si](CCC#N)(OCC)OCC
InChI Key
GBQYMXVQHATSCC-UHFFFAOYSA-N
InChI
InChI=1S/C9H19NO3Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10/h4-7,9H2,1-3H3
Names and Synonyms
- (2-Cyanoethyl)Triethoxysilane Synonym
- Propanenitrile, 3-(triethoxysilyl)- Synonym
- Propionitrile, 3-(triethoxysilyl)- Synonym
- 3-(Triethoxysilyl)propanenitrile Synonym
- (β-Cyanoethyl)triethoxysilane Synonym
- (2-Cyanoethyl)triethoxysilane Synonym
- 3-(Triethoxysilyl)propionitrile Synonym
- Cyanoethyltriethoxysilane Synonym
- NSC 77092 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 217.34 g/mol | CAS Common Chemistry |
| 217.34099999999995 g/mol | RDKit | |
| 217.341 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 |
| 51.48 Ų | RDKit | |
| LogP | 1.94848 | RDKit |
| 1.9485 | RDKit | |
| Molar Refractivity | 55.66900000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8889 | RDKit |
| 0.89 | chempirical lib | |
| Exact Mass | 217.11341999799998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 217.34 g/mol; density = 0.980 g/mL. Edit any field — others recompute live.
