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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 Weight:
496.29300000000023 g/mol
Names and Synonyms:
Dimethyloctadecyl(3-Trimethoxysilylpropyl)Ammonium Chloride
Common Name
Dimethyloctadecyl[3-(trimethoxysilyl)propy]ammonium chloride
Synonym
IHeir 333
Synonym
AEM 5700L
Synonym
Bio-Protect 7200
Synonym
N,N-Dimethyl-N-octadecyl-N-[3-(trimethyloxysilyl)propyl]ammonium chloride
Synonym
Stearyldimethyl(3-trimethoxysilylpropyl)ammonium chloride
Synonym
HM 98-3
Synonym
BioShield 7200
Synonym
3-(Trimethoxysilyl)propyl-N-octadecyl-N,N-dimethylammonium chloride
Synonym
MonoFoil
Synonym
MonoFoil Antimicrobial Liquid
Synonym
Octadecyldimethyl(trimethoxysilyl)propylammonium chloride
Synonym
AEM 5700 Antimicrobial
Synonym
C 18NTMS
Synonym
ProShield 5000D
Synonym
Biosafe MCX 117683
Synonym
Dow Corning 9-6346
Synonym
DMAOP
Synonym
DMAOP (onium compound)
Synonym
BioShield AM 500
Synonym
Goldshield 5
Synonym
CA 200 (quaternary compd.)
Synonym
CA 200
Synonym
SIO 6620
Synonym
Aegis AEM 5700
Synonym
LS 6985
Synonym
PC 5700
Synonym
BioShield AM 500I
Synonym
AEM 5700
Synonym
(3-(Trimethoxysilyl)propyl)octadecyldimethylammonium chloride
Synonym
DK-Q 8-8905
Synonym
XS 70-241
Synonym
Q 9-6346
Synonym
A 9-6346
Synonym
XZ 2-2300
Synonym
N-Octadecyldimethyl[3-(trimethoxysilyl)propyl]ammonium chloride
Synonym
Quat-Silsesquioxane
Synonym
Agrishield
Synonym
Octadecyldimethyl[3-(trimethoxysilyl)propyl]ammonium chloride
Synonym
SiQAC
Synonym
5700 Antimicrobial Agent
Synonym
AY 43-006
Synonym
Polon MF 50
Synonym
DA 5700
Synonym
Dow Corning 5701
Synonym
DC 5700
Synonym
Q 9-5700
Synonym
DMOAP
Synonym
[3-(Trimethoxysilyl)propyl]dimethyloctadecylammonium chloride
Synonym
Dimethyloctadecyl[3-(trimethoxysilyl)propyl]ammonium chloride
Synonym
1-Octadecanaminium, N,N-dimethyl-N-[3-(trimethoxysilyl)propyl]-, chloride
Synonym
Ammonium, dimethyloctadecyl[3-(trimethoxysilyl)propyl]-, chloride
Synonym
1-Octadecanaminium, N,N-dimethyl-N-[3-(trimethoxysilyl)propyl]-, chloride (1:1)
Synonym
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
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 496.29300000000023 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 495.38744892599993 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 32 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 24 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 27.69 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 4.596500000000004 | RDKit |
| molecular_mass | 496.29 g/mol | Legacy Database |
| density | 0.89 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Dimethyloctadecyl(3-trimethoxysilylpropyl)ammonium_chloride None | Legacy Database |
| cas-canonical-smile | [Cl-].O(C)[Si](OC)(OC)CCC[N+](C)(C)CCCCCCCCCCCCCCCCCC None | Legacy Database |
| cas-density | 0.890 g/cm3 None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=WSFMFXQNYPNYGG-UHFFFAOYSA-M None | Legacy Database |
| cas-name | Dimethyloctadecyl[3-(trimethoxysilyl)propyl]ammonium chloride None | Legacy Database |
| wikipedia-name | Dimethyloctadecyl(3-trimethoxysilylpropyl)ammonium chloride None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 137.59339999999997 | RDKit |