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Molecule
3-Cyanopropyltriethoxysilane
CAS: 1067-47-6 · C10H21NO3Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1067-47-6
- Molecular Formula
- C10H21NO3Si
- Molecular Mass
- 231.37 g/mol
Identifiers
CAS Registry Number
1067-47-6
SMILES
CCO[Si](CCCC#N)(OCC)OCC
InChI Key
VGIURMCNTDVGJM-UHFFFAOYSA-N
InChI
InChI=1S/C10H21NO3Si/c1-4-12-15(13-5-2,14-6-3)10-8-7-9-11/h4-8,10H2,1-3H3
Names and Synonyms
- 3-Cyanopropyltriethoxysilane Synonym
- Butanenitrile, 4-(triethoxysilyl)- Synonym
- Butyronitrile, 4-(triethoxysilyl)- Synonym
- 4-(Triethoxysilyl)butanenitrile Synonym
- 3-Cyanopropyltriethoxysilane Synonym
- 4-(Triethoxysilyl)butyronitrile Synonym
- γ-Cyanopropyltriethoxysilane Synonym
- GH 520 Synonym
- 1-Cyano-3-triethoxysilylpropane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 231.37 g/mol | CAS Common Chemistry |
| 231.36799999999994 g/mol | RDKit | |
| 231.368 g/mol | RDKit | |
| Density | 0.96 g/cm³ | CAS Common Chemistry |
| 0.961 g/cm3 | 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 |
| 51.48 Ų | RDKit | |
| LogP | 2.3385800000000003 | RDKit |
| 2.3386 | RDKit | |
| Molar Refractivity | 60.286000000000044 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9 | RDKit |
| Exact Mass | 231.129070062 g/mol | RDKit |
| Boiling Point | 79-80 °C @ 0.6 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
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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 = 231.37 g/mol; density = 0.960 g/mL. Edit any field — others recompute live.
