tetrakis(decyl)azanium bromide

• ChemBase ID: 152357
• Molecular Formular: C40H84BrN
• Molecular Mass: 659.00566
• Monoisotopic Mass: 657.57871369
• SMILES: CCCCCCCCCC[N+](CCCCCCCCCC)(CCCCCCCCCC)CCCCCCCCCC.[Br-]
• Canonical SMILES: CCCCCCCCCC[N+](CCCCCCCCCC)(CCCCCCCCCC)CCCCCCCCCC.[Br-]
• InChI: InChI=1S/C40H84N.BrH/c1-5-9-13-17-21-25-29-33-37-41(38-34-30-26-22-18-14-10-6-2,39-35-31-27-23-19-15-11-7-3)40-36-32-28-24-20-16-12-8-4;/h5-40H2,1-4H3;1H/q+1;/p-1
• InChIKey: AHNISXOXSNAHBZ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrakis(decyl)azanium bromide
• IUPAC Traditional name: tetrakis(decyl)azanium bromide
• Synonyms: Tetra-decylammonium bromide; Tetrakis(decyl)ammonium bromide; 四正癸基溴化铵; 四癸基溴化铵

Database IDs

• CAS Number: 14937-42-9
• EC Number: 239-013-3
• MDL Number: MFCD00043166
• Beilstein Number: 5842649
• PubChem SID: 24888915; 24900244; 24888916; 162246502; 24888917
• PubChem CID: 3014876

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 11.993077
• LogD (pH = 7.4): 11.993077
• Log P: 11.993077
• Molar Refractivity: 201.8201 cm^3
• Polarizability: 76.06285 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 36
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: ethanol: soluble0.1 g/mL, clear, colorless
• Melting Point: 87-90 °C
• Absorption Wavelength: λ: 240 nm Amax: 0.04; λ: 250 nm Amax: 0.03; λ: 260 nm Amax: 0.02; λ: 500 nm Amax: 0.02

Safety Information

• German water hazard class: 3
• Safety Statements: 22-24/25
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: >99% (titration); ≥99.0% (AT)
• Grade: for ion pair chromatography; puriss.
• Suitability: corresponds to standard for filter test
• Description: cationic
• λ: 10 % in methanol
• Linear Formula: [CH3(CH2)9]4N(Br)

DETAILS

Sigma Aldrich - 87580

Packaging
10, 50 g in glass bottle