trimethyl(tetradecyl)azanium bromide

• ChemBase ID: 103544
• Molecular Formular: C17H38BrN
• Molecular Mass: 336.39432
• Monoisotopic Mass: 335.21876222
• SMILES: [Br-].CCCCCCCCCCCCCC[N+](C)(C)C
• Canonical SMILES: CCCCCCCCCCCCCC[N+](C)(C)C.[Br-]
• InChI: InChI=1S/C17H38N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1
• InChIKey: CXRFDZFCGOPDTD-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl(tetradecyl)azanium bromide
• IUPAC Traditional name: trimethyl(tetradecyl)azanium bromide
• Synonyms: Trimethyl-n-tetradecylammonium bromide; (1-Tetradecyl)trimethylammonium bromide; N,N,N-Trimethyltetradecan-1-aminium bromide; Myristyltrimethylammonium bromide; Myristyltrimethylammonium bromide; Trimethyl(tetradecyl)ammonium bromide; TETRADECYLTRIMETHYL-AMMONIUM BROMIDE; Tetradecyltrimethylammonium bromide; (1-十四烷基)三甲基溴化铵; 三甲基(十四烷基)溴化铵; 十四烷基三甲基溴化铵; 肉豆蔻基三甲基溴化铵

Database IDs

• CAS Number: 1119-97-7
• EC Number: 214-291-9
• MDL Number: MFCD00011770
• Beilstein Number: 3633227
• Merck Index: 146336
• PubChem SID: 24900223; 24888730; 162090866
• PubChem CID: 14250

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.7974185
• LogD (pH = 7.4): 1.7974185
• Log P: 1.7974185
• Molar Refractivity: 95.7853 cm^3
• Polarizability: 33.581413 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble0.1 g/mL, clear; H2O: soluble10 % (w/v)
• Melting Point: 245-250 °C(lit.); 245-250°C; 245-250°C
• Absorption Wavelength: λ: 240 nm Amax: ≤0.08; λ: 250 nm Amax: ≤0.05; λ: 260 nm Amax: ≤0.04; λ: 500 nm Amax: ≤0.02
• Critical Micelle Concentration: 4-5 mM(20-25°C)
• Aggregation Number of Micelle: 80

Safety Information

• Storage Condition: Room Temperature (15-30°C), Desiccate
• RTECS: BS5776000
• European Hazard Symbols: Corrosive (C); Nature polluting (N)
• UN Number: 1759; 3263; UN1759
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II; III
• Australian Hazchem: 2X
• Risk Statements: 34; 34-51/53; R:34
• Safety Statements: 26-36/37/39-45; 26-36/37/39-45-61; S:26-27/28-36/37/39-46-64
• EU Classification: C10
• EU Hazard Identification Number: 8B
• Emergency Response Guidebook(ERG) Number: 154
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318-H303-H401-H411
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3263 8/PG 2

Product Information

• Purity: ≥98.0% (AT); ≥99%; ≥99.0% (AT); 95+%; 98%; 99%
• Grade: for ion pair chromatography
• Suitability: corresponds to standard for filter test
• Description: cationic
• Mol. Weight: micellar avg mol wt 27,000
• λ: 10 % in H2O
• Linear Formula: CH3(CH2)13N(Br)(CH3)3

DETAILS

MP Biomedicals - 02152109

Purity: 98%
Phase transfer catalyst.

Sigma Aldrich - T4762

包装
1 kg in poly bottle
5, 100, 250, 500 g in poly bottle

Sigma Aldrich - 860425

Application
Cationic detergent, antiseptic.