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Molecule
4-(Triethoxysilyl)Benzenamine
CAS: 7003-80-7 · C12H21NO3Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7003-80-7
- Molecular Formula
- C12H21NO3Si
- Molecular Mass
- 255.39 g/mol
Identifiers
CAS Registry Number
7003-80-7
SMILES
CCO[Si](OCC)(OCC)c1ccc(N)cc1
InChI Key
TVTRDGVFIXILMY-UHFFFAOYSA-N
InChI
InChI=1S/C12H21NO3Si/c1-4-14-17(15-5-2,16-6-3)12-9-7-11(13)8-10-12/h7-10H,4-6,13H2,1-3H3
Names and Synonyms
- 4-(Triethoxysilyl)Benzenamine Systematic Name
- Benzenamine, 4-(triethoxysilyl)- Synonym
- Aniline, p-(triethoxysilyl)- Synonym
- 4-(Triethoxysilyl)benzenamine Synonym
- (p-Aminophenyl)triethoxysilane Synonym
- 4-(Triethoxysilyl)aniline Synonym
- (4-Aminophenyl)triethoxysilane Synonym
- p-(Triethoxysilyl)aniline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 255.39 g/mol | CAS Common Chemistry |
| Canonical SMILES | O(CC)[Si](OCC)(OCC)C1=CC=C(N)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C12H21NO3Si/c1-4-14-17(15-5-2,16-6-3)12-9-7-11(13)8-10-12/h7-10H,4-6,13H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=TVTRDGVFIXILMY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-(Triethoxysilyl)benzenamine | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 53.71 Ų | RDKit |
| LogP | 1.5241999999999998 | RDKit |
| 1.5242 | RDKit | |
| Molar Refractivity | 71.12040000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 255.12907006199998 g/mol | RDKit |
| Boiling Point | 145-150 °C @ 14 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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| 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 = 255.39 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H21NO3Si.
