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27668-52-6

Basic Information
CAS No.: 27668-52-6
Name: 1-Octadecanaminium,N,N-dimethyl-N-[3-(trimethoxysilyl)propyl]-, chloride (1:1)
Article Data: 2
Cas Database
Molecular Structure:
Molecular Structure of 27668-52-6 (1-Octadecanaminium,N,N-dimethyl-N-[3-(trimethoxysilyl)propyl]-, chloride (1:1))
Formula: C26H58ClNO3Si
Molecular Weight: 496.29
Synonyms: 1-Octadecanaminium,N,N-dimethyl-N-[3-(trimethoxysilyl)propyl]-, chloride (9CI);Ammonium,dimethyloctadecyl[3-(trimethoxysilyl)propyl]-, chloride (8CI);(3-(Trimethoxysilyl)propyl)octadecyldimethylammonium chloride;5700Antimicrobial Agent;A 9-6346;AEM 5700;AY 43-006;Aegis AEM 5700;Agrishield;BioShield AM 500;BioShield AM 500I;CA 200;CA 200 (quaternary compd.);DA5700;DC 5700;DK-Q 8-8905;DMOAP;Dimethyloctadecyl[3-(trimethoxysilyl)propyl]ammonium chloride;Dow Corning5701;Goldshield 5;LS 6985;N-Octadecyldimethyl[3-(trimethoxysilyl)propyl]ammonium chloride;Octadecyldimethyl[3-(trimethoxysilyl)propyl]ammoniumchloride;PC 5700;Polon MF 50;Q 9-5700;Q 9-6346;Quat-Silsesquioxane;SIO6620;SiQAC;XS 70-241;XZ 2-2300;[3-(Trimethoxysilyl)propyl]dimethyloctadecylammonium chloride;
EINECS: 248-595-8
Density: 0.89 g/mL at 20 °C(lit.)
Melting Point: N/A
Boiling Point: 22.3 °C
Flash Point: 15 °C
Solubility: reacts with water
Appearance: Clear to straw liquid with amine (ammonia-like) odor
Hazard Symbols: FlammableF; ToxicT
Risk Codes: 11-23/24/25-39/23/24/25
Safety: 16-36/37-45-7
Transport Information: UN 1992 3/PG 2
PSA: 27.69000
LogP: 4.59650
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    Chemical Name: Dimethyloctadecyl[3-(trimethoxysilyl)propyl]ammonium chloride CAS.NO: 27668-52-6 Synonyms: 3-(Trimethoxysilyl)propyldimethyloctodecyl-Ammonium Chloride; Molecular Formula: C26H58ClNO3Si Molec

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Specification

The Dimethyloctadecyl[3-(trimethoxysilyl)propyl]ammonium chloride is an organic compound with the formula C26H58ClNO3Si. The IUPAC name of this chemical is dimethyl-octadecyl-(3-trimethoxysilylpropyl)azanium chloride. With the CAS registry number 27668-52-6, it is also named as N,N-Dimethyl-N-[3-(trimethoxysilyl)propyl]octadecan-1-aminium chloride. The product's categories are Special Silanes; Ammonium SaltsSelf Assembly & Contact Printing; Greener Alternatives: Catalysis; Phase Transfer Catalysts; Self-Assembly Materials; Silanes. Besides, it is clear to straw liquid, which should be stored in a closed cool and dry place.

Physical properties about Dimethyloctadecyl[3-(trimethoxysilyl)propyl]ammonium chloride are: (1)ACD/LogP: 2.71; (2)ACD/LogD (pH 5.5): 2.71; (3)ACD/LogD (pH 7.4): 2.71; (4)ACD/BCF (pH 5.5): 67.11; (5)ACD/BCF (pH 7.4): 67.11; (6)ACD/KOC (pH 5.5): 706.65; (7)ACD/KOC (pH 7.4): 706.65; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 24; (10)Polar Surface Area: 27.69 Å2.

When you are using this chemical, please be cautious about it as the following:
It is highly flammable and harmful by inhalation, in contact with skin and if swallowed. Please keep container tightly closed and keep away from sources of ignition - No smoking. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. It is danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed. When you are using it, wear suitable gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].O(C)[Si](OC)(OC)CCC[N+](CCCCCCCCCCCCCCCCCC)(C)C
(2)InChI: InChI=1/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
(3)InChIKey: WSFMFXQNYPNYGG-REWHXWOFAV
(4)Std. 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
(5)Std. InChIKey: WSFMFXQNYPNYGG-UHFFFAOYSA-M