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Molecule
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
Identifiers
CAS Registry Number
15180-47-9
SMILES
CCO[Si](CN(CC)CC)(OCC)OCC
InChI Key
UMXXGDJOCQSQBV-UHFFFAOYSA-N
InChI
InChI=1S/C11H27NO3Si/c1-6-12(7-2)11-16(13-8-3,14-9-4)15-10-5/h6-11H2,1-5H3
Names and Synonyms
- N-Ethyl-N-[(Triethoxysilyl)Methyl]Ethanamine Synonym
- Ethanamine, N-ethyl-N-[(triethoxysilyl)methyl]- Synonym
- Diethylamine, N-[(triethoxysilyl)methyl]- Synonym
- N-Ethyl-N-[(triethoxysilyl)methyl]ethanamine Synonym
- ADE 3 Synonym
- (Diethylamino)methyltriethoxysilane Synonym
- ND 22 Synonym
- (N,N-Diethylaminomethyl)triethoxysilane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 249.43 g/mol | CAS Common Chemistry |
| 249.42699999999994 g/mol | RDKit | |
| 249.427 g/mol | RDKit | |
| Density | 0.93 g/cm³ | CAS Common Chemistry |
| 0.9336 g/cm3 @ 25 °C | 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 |
| 30.93 Ų | RDKit | |
| 30.7 Ų | chempirical lib | |
| LogP | 1.9157999999999997 | RDKit |
| 1.9158 | RDKit | |
| Molar Refractivity | 68.42000000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 249.176020254 g/mol | RDKit |
| Boiling Point | 74-76 °C @ 3 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
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 = 249.43 g/mol; density = 0.930 g/mL. Edit any field — others recompute live.
