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Molecule
Dimethyloctadecyl(3-Trimethoxysilylpropyl)Ammonium Chloride
CAS: 27668-52-6 · C26H58ClNO3Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 27668-52-6
- Molecular Formula
- C26H58ClNO3Si
- Molecular Mass
- 496.29 g/mol
Identifiers
CAS Registry Number
27668-52-6
SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(C)CCC[Si](OC)(OC)OC.[Cl-]
InChI Key
WSFMFXQNYPNYGG-UHFFFAOYSA-M
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
Names and Synonyms
- Dimethyloctadecyl(3-Trimethoxysilylpropyl)Ammonium Chloride Common Name
- 1-Octadecanaminium, N,N-dimethyl-N-[3-(trimethoxysilyl)propyl]-, chloride (1:1) Synonym
- Ammonium, dimethyloctadecyl[3-(trimethoxysilyl)propyl]-, chloride Synonym
- 1-Octadecanaminium, N,N-dimethyl-N-[3-(trimethoxysilyl)propyl]-, chloride Synonym
- Dimethyloctadecyl[3-(trimethoxysilyl)propyl]ammonium chloride Synonym
- [3-(Trimethoxysilyl)propyl]dimethyloctadecylammonium chloride Synonym
- DMOAP Synonym
- Q 9-5700 Synonym
- DC 5700 Synonym
- Dow Corning 5701 Synonym
- DA 5700 Synonym
- Polon MF 50 Synonym
- AY 43-006 Synonym
- 5700 Antimicrobial Agent Synonym
- SiQAC Synonym
- Octadecyldimethyl[3-(trimethoxysilyl)propyl]ammonium chloride Synonym
- Agrishield Synonym
- Quat-Silsesquioxane Synonym
- N-Octadecyldimethyl[3-(trimethoxysilyl)propyl]ammonium chloride Synonym
- XZ 2-2300 Synonym
- A 9-6346 Synonym
- Q 9-6346 Synonym
- XS 70-241 Synonym
- DK-Q 8-8905 Synonym
- (3-(Trimethoxysilyl)propyl)octadecyldimethylammonium chloride Synonym
- AEM 5700 Synonym
- BioShield AM 500I Synonym
- PC 5700 Synonym
- LS 6985 Synonym
- Aegis AEM 5700 Synonym
- SIO 6620 Synonym
- CA 200 Synonym
- CA 200 (quaternary compd.) Synonym
- Goldshield 5 Synonym
- BioShield AM 500 Synonym
- DMAOP (onium compound) Synonym
- DMAOP Synonym
- Dow Corning 9-6346 Synonym
- Biosafe MCX 117683 Synonym
- ProShield 5000D Synonym
- C 18NTMS Synonym
- AEM 5700 Antimicrobial Synonym
- Octadecyldimethyl(trimethoxysilyl)propylammonium chloride Synonym
- MonoFoil Antimicrobial Liquid Synonym
- MonoFoil Synonym
- 3-(Trimethoxysilyl)propyl-N-octadecyl-N,N-dimethylammonium chloride Synonym
- BioShield 7200 Synonym
- HM 98-3 Synonym
- Stearyldimethyl(3-trimethoxysilylpropyl)ammonium chloride Synonym
- N,N-Dimethyl-N-octadecyl-N-[3-(trimethyloxysilyl)propyl]ammonium chloride Synonym
- Bio-Protect 7200 Synonym
- AEM 5700L Synonym
- IHeir 333 Synonym
- Dimethyloctadecyl[3-(trimethoxysilyl)propy]ammonium chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 496.29 g/mol | CAS Common Chemistry |
| 496.29300000000023 g/mol | RDKit | |
| 496.293 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 |
| 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 |
| 4.5965 | RDKit | |
| Molar Refractivity | 137.59339999999997 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 495.38744892599993 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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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.
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MW = 496.29 g/mol; density = 0.890 g/mL. Edit any field — others recompute live.
