dimethyl(octadecyl)[3-(trimethoxysilyl)propyl]azanium chloride

• ChemBase ID: 147393
• Molecular Formular: C26H58ClNO3Si
• Molecular Mass: 496.28212
• Monoisotopic Mass: 495.38744893
• SMILES: CCCCCCCCCCCCCCCCCC[N+](C)(C)CCC[Si](OC)(OC)OC.[Cl-]
• Canonical SMILES: CCCCCCCCCCCCCCCCCC[N+](CCC[Si](OC)(OC)OC)(C)C.[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
• InChIKey: WSFMFXQNYPNYGG-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(octadecyl)[3-(trimethoxysilyl)propyl]azanium chloride
• IUPAC Traditional name: dimethyl(octadecyl)[3-(trimethoxysilyl)propyl]azanium chloride
• Synonyms: DMOAP; AEM Q9-6346; Dimethyloctadecyl[3-(trimethoxysilyl)propyl]ammonium chloride; Dimethyloctadecyl[3-(trimethoxysilyl)propyl]ammonium chloride solution; Dow Corning® 产品 Q9-6346; 二甲基十八烷基[3-(三甲氧基硅基)丙基]氯化铵; 二甲基十八烷基[3-(三甲氧基硅基)丙基]氯化铵 溶液

Database IDs

• CAS Number: 27668-52-6
• MDL Number: MFCD00054224
• Beilstein Number: 4897339
• PubChem SID: 24867251; 24867252; 162241581; 24865659
• PubChem CID: 62827

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8127258
• LogD (pH = 7.4): 2.8127258
• Log P: 2.8127258
• Molar Refractivity: 143.6755 cm^3
• Polarizability: 55.09772 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 24
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 11 °C; 33 °C; 51.8 °F; 91.4 °F
• Density: 0.88 g/mL at 25 °C; 0.89 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.3889

Safety Information

• European Hazard Symbols: Flammable (F); Toxic (T)
• UN Number: 1230; 1992
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 10-23/24/25-36/37/38-39/23/24/25; 11-23/24/25-36-39/23/24/25
• Safety Statements: 16-26-36/37-45; 26-36/37-45
• GHS Pictograms: GHS02; GHS05; GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H301-H311-H319-H331-H370; H226-H302-H311 + H331-H314-H335-H370
• GHS Precautionary statements: P210-P260-P280-P301 + P310-P305 + P351 + P338-P311; P260-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1230 3/PG 2; UN 1992 3/PG 2

Product Information

• Purity: ~50% (AT); 72%
• Concentration: 42 wt. % in methanol
• Grade: technical
• Impurities: 13 wt. % methyl alcohol; 15 wt. % (3-chloropropyl)trimethoxysilane; 8 wt. % (3-chloropropyl)trimethoxysilane
• Linear Formula: [(CH3O)3Si(CH2)3N(CH3)2(CH2)17CH3]Cl

DETAILS

Sigma Aldrich - 435708

Packaging
100, 500 mL in Sure/Seal™
Legal Information
Product of Aegis Environmental Management

Sigma Aldrich - 435694

Packaging
100, 500 mL in Sure/Seal™
Legal Information
Product of Aegis Environmental Management