ethyl(hexadecyl)dimethylazanium bromide

• ChemBase ID: 105423
• Molecular Formular: C20H44BrN
• Molecular Mass: 378.47406
• Monoisotopic Mass: 377.26571241
• SMILES: CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]
• Canonical SMILES: CCCCCCCCCCCCCCCC[N+](CC)(C)C.[Br-]
• InChI: InChI=1S/C20H44N.BrH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;/h5-20H2,1-4H3;1H/q+1;/p-1
• InChIKey: VUFOSBDICLTFMS-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl(hexadecyl)dimethylazanium bromide
• IUPAC Traditional name: ethyl(hexadecyl)dimethylazanium bromide
• Synonyms: CETYLDIMETHYLETHYLAMMONIUM BROMIDE; Cetyldimethylethylammonium bromide; Dimethylethylhexadecylammonium bromide; Ethylhexadecyldimethylammonium bromide; Cetyl ethyl dimethylammonium bromide; Ethyl(1-hexadecyl)dimethylammonium bromide; N-Ethyl-N,N-dimethylhexadecan-1-aminium bromide; Hexadecyldimethylethylammonium bromide; CETYLDIMETHYL ETHYLAMMONIUM BROMIDE; 十六烷基二甲基乙基溴化铵

Database IDs

• CAS Number: 124-03-8
• EC Number: 204-672-8
• MDL Number: MFCD00011774
• Beilstein Number: 3729134
• Merck Index: 142029
• PubChem SID: 24892263; 24892776; 162092121
• PubChem CID: 31280

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.0433638
• LogD (pH = 7.4): 3.0433638
• Log P: 3.0433638
• Molar Refractivity: 109.7359 cm^3
• Polarizability: 39.122406 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble0.1 g/mL, clear, colorless
• Melting Point: 190°C; ca 192°C dec.
• Flash Point: 199.4 °F; 93 °C

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: BQ5425000
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38; 22-36/38; R:22
• Safety Statements: 26-36; 26-36/37; S:36/37/39
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319; H302-H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A; P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: ~85%; ≥98% (non-aqueous titration); ≥98.0% (NT); 95+%; 99%
• Grade: purum
• Compostion: C16, ~85% (balance stearyl (C18) homolog)
• Ignition Residue: ≤0.1%
• Description: cationic
• Impurities: ≤0.0005% Phosphorus (P); ≤0.1% Insoluble matter
• Cation Traces: Al: ≤0.0005%; Ca: ≤0.0005%; Cu: ≤0.0005%; Fe: ≤0.0005%; K: ≤0.005%; Mg: ≤0.0005%; Na: ≤0.005%; Pb: ≤0.001%; Zn: ≤0.0005%
• Antion Traces: sulfate (SO42-): ≤0.05%
• Linear Formula: [CH3(CH2)15N+(CH3)2CH2CH3]Br-

DETAILS

MP Biomedicals - 02190176

Approx. 85% Cetyl (C₁₆ ); balance: Stearyl (C₁₈ ) homolog
Phase transfer catalyst.

MP Biomedicals - 05208248

MP Biomedicals Rare Chemical collection