Back to Search
4-(Triethoxysilyl)Benzenamine
CAS: 7003-80-7 | C12H21NO3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7003-80-7
Molecular Formula:
C12H21NO3Si
Molecular Mass:
255.39 g/mol
Names and Synonyms:
4-(Triethoxysilyl)Benzenamine
Benzenamine, 4-(triethoxysilyl)-
Aniline, p-(triethoxysilyl)-
4-(Triethoxysilyl)benzenamine
(p-Aminophenyl)triethoxysilane
4-(Triethoxysilyl)aniline
(4-Aminophenyl)triethoxysilane
p-(Triethoxysilyl)aniline
Identifiers:
SMILES:
CCO[Si](OCC)(OCC)c1ccc(N)cc1
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
Key Properties
Boiling Point
145-150 °C @ Press: 14 Torr
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 | 255.39 g/mol | CAS Common Chemistry |
| 255.12907006199998 g/mol | RDKit | |
| Boiling Point | 145-150 °C @ Press: 14 Torr | 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 |
| Molar Refractivity | 71.12040000000003 | RDKit |
