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N-Ethyl-N-[(Triethoxysilyl)Methyl]Ethanamine
CAS: 15180-47-9 | C11H27NO3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
15180-47-9
Molecular Formula:
C11H27NO3Si
Molecular Mass:
249.43 g/mol
Names and Synonyms:
N-Ethyl-N-[(Triethoxysilyl)Methyl]Ethanamine
Ethanamine, N-ethyl-N-[(triethoxysilyl)methyl]-
Diethylamine, N-[(triethoxysilyl)methyl]-
N-Ethyl-N-[(triethoxysilyl)methyl]ethanamine
ADE 3
(Diethylamino)methyltriethoxysilane
ND 22
(N,N-Diethylaminomethyl)triethoxysilane
Identifiers:
SMILES:
CCO[Si](CN(CC)CC)(OCC)OCC
InChI:
InChI=1S/C11H27NO3Si/c1-6-12(7-2)11-16(13-8-3,14-9-4)15-10-5/h6-11H2,1-5H3
Key Properties
Boiling Point
74-76 °C @ Press: 3 Torr
CAS Common Chemistry
Density
0.93 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
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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 | 249.43 g/mol | CAS Common Chemistry |
| 249.42699999999994 g/mol | RDKit | |
| 249.176020254 g/mol | RDKit | |
| Density | 0.93 g/cm³ | CAS Common Chemistry |
| 0.9336 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 74-76 °C @ Press: 3 Torr | CAS Common Chemistry |
| Canonical SMILES | O(CC)[Si](OCC)(OCC)CN(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C11H27NO3Si/c1-6-12(7-2)11-16(13-8-3,14-9-4)15-10-5/h6-11H2,1-5H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UMXXGDJOCQSQBV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-Ethyl-N-[(triethoxysilyl)methyl]ethanamine | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 30.930000000000003 Ų | RDKit |
| LogP | 1.9157999999999997 | RDKit |
| Molar Refractivity | 68.42000000000006 | RDKit |
