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Dimethyloctadecyl(3-Trimethoxysilylpropyl)Ammonium Chloride
CAS: 27668-52-6 | C26H58ClNO3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
27668-52-6
Molecular Formula:
C26H58ClNO3Si
Molecular Mass:
496.29 g/mol
Names and Synonyms:
Dimethyloctadecyl(3-Trimethoxysilylpropyl)Ammonium Chloride
1-Octadecanaminium, N,N-dimethyl-N-[3-(trimethoxysilyl)propyl]-, chloride (1:1)
Ammonium, dimethyloctadecyl[3-(trimethoxysilyl)propyl]-, chloride
1-Octadecanaminium, N,N-dimethyl-N-[3-(trimethoxysilyl)propyl]-, chloride
Dimethyloctadecyl[3-(trimethoxysilyl)propyl]ammonium chloride
[3-(Trimethoxysilyl)propyl]dimethyloctadecylammonium chloride
DMOAP
Q 9-5700
DC 5700
Dow Corning 5701
DA 5700
Polon MF 50
AY 43-006
5700 Antimicrobial Agent
SiQAC
Octadecyldimethyl[3-(trimethoxysilyl)propyl]ammonium chloride
Agrishield
Quat-Silsesquioxane
N-Octadecyldimethyl[3-(trimethoxysilyl)propyl]ammonium chloride
XZ 2-2300
A 9-6346
Q 9-6346
XS 70-241
DK-Q 8-8905
(3-(Trimethoxysilyl)propyl)octadecyldimethylammonium chloride
AEM 5700
BioShield AM 500I
PC 5700
LS 6985
Aegis AEM 5700
SIO 6620
CA 200
CA 200 (quaternary compd.)
Goldshield 5
BioShield AM 500
DMAOP (onium compound)
DMAOP
Dow Corning 9-6346
Biosafe MCX 117683
ProShield 5000D
C 18NTMS
AEM 5700 Antimicrobial
Octadecyldimethyl(trimethoxysilyl)propylammonium chloride
MonoFoil Antimicrobial Liquid
MonoFoil
3-(Trimethoxysilyl)propyl-N-octadecyl-N,N-dimethylammonium chloride
BioShield 7200
HM 98-3
Stearyldimethyl(3-trimethoxysilylpropyl)ammonium chloride
N,N-Dimethyl-N-octadecyl-N-[3-(trimethyloxysilyl)propyl]ammonium chloride
Bio-Protect 7200
AEM 5700L
IHeir 333
Dimethyloctadecyl[3-(trimethoxysilyl)propy]ammonium chloride
Identifiers:
SMILES:
CCCCCCCCCCCCCCCCCC[N+](C)(C)CCC[Si](OC)(OC)OC.[Cl-]
InChI:
InChI=1S/C26H58NO3Si.ClH/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(2,3)25-23-26-31(28-4,29-5)30-6;/h7-26H2,1-6H3;1H/q+1;/p-1
Key Properties
Density
0.89 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
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 | 496.29 g/mol | CAS Common Chemistry |
| 496.29300000000023 g/mol | RDKit | |
| 495.38744892599993 g/mol | RDKit | |
| Density | 0.89 g/cm³ | CAS Common Chemistry |
| 0.890 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dimethyloctadecyl(3-trimethoxysilylpropyl)ammonium_chloride | CAS Common Chemistry |
| Canonical SMILES | [Cl-].O(C)[Si](OC)(OC)CCC[N+](C)(C)CCCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C26H58NO3Si.ClH/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(2,3)25-23-26-31(28-4,29-5)30-6;/h7-26H2,1-6H3;1H/q+1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=WSFMFXQNYPNYGG-UHFFFAOYSA-M | CAS Common Chemistry |
| Name | Dimethyloctadecyl[3-(trimethoxysilyl)propyl]ammonium chloride | CAS Common Chemistry |
| Dimethyloctadecyl(3-trimethoxysilylpropyl)ammonium chloride | CAS Common Chemistry | |
| Heavy Atom Count | 32 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 24 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 4.596500000000004 | RDKit |
| Molar Refractivity | 137.59339999999997 | RDKit |
