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Trimethoxysilylpropyl-N,N,N-Trimethylammonium Chloride
CAS: 35141-36-7 | C9H24ClNO3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
35141-36-7
Molecular Formula:
C9H24ClNO3Si
Molecular Mass:
257.83 g/mol
Names and Synonyms:
Trimethoxysilylpropyl-N,N,N-Trimethylammonium Chloride
1-Propanaminium, N,N,N-trimethyl-3-(trimethoxysilyl)-, chloride (1:1)
1-Propanaminium, N,N,N-trimethyl-3-(trimethoxysilyl)-, chloride
Y 5817
(γ-Trimethoxysilylpropyl)trimethylammonium chloride
[3-(Trimethoxysilyl)propyl]trimethylammonium chloride
Trimethyl[3-(trimethoxysilyl)propyl]ammonium chloride
T 2925
N-(3-Trimethoxysilylpropyl)-N,N,N-trimethylammonium chloride
N-Trimethoxysilylpropyl-N,N,N-trimethylammonium chloride
SIT 8415
SIT 8415.0
3-(Trimethoxysilyl)propyl-N,N,N-trimethylammonium chloride
Trimethoxysilylpropyl-N,N,N-trimethylammonium chloride
N-Trimethoxylsilylpropyl-N,N,N-trimethylammonium chloride
Identifiers:
SMILES:
CO[Si](CCC[N+](C)(C)C)(OC)OC.[Cl-]
InChI:
InChI=1S/C9H24NO3Si.ClH/c1-10(2,3)8-7-9-14(11-4,12-5)13-6;/h7-9H2,1-6H3;1H/q+1;/p-1
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 | 257.83 g/mol | CAS Common Chemistry |
| 257.83399999999995 g/mol | RDKit | |
| 257.121397838 g/mol | RDKit | |
| Canonical SMILES | [Cl-].O(C)[Si](OC)(OC)CCC[N+](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H24NO3Si.ClH/c1-10(2,3)8-7-9-14(11-4,12-5)13-6;/h7-9H2,1-6H3;1H/q+1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=FYZFRYWTMMVDLR-UHFFFAOYSA-M | CAS Common Chemistry |
| Name | Trimethoxysilylpropyl-N,N,N-trimethylammonium chloride | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | -2.0351999999999943 | RDKit |
| Molar Refractivity | 59.104400000000055 | RDKit |
