tetradodecylazanium bromide

• ChemBase ID: 152476
• Molecular Formular: C48H100BrN
• Molecular Mass: 771.2183
• Monoisotopic Mass: 769.70391421
• SMILES: CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC.[Br-]
• Canonical SMILES: CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC.[Br-]
• InChI: InChI=1S/C48H100N.BrH/c1-5-9-13-17-21-25-29-33-37-41-45-49(46-42-38-34-30-26-22-18-14-10-6-2,47-43-39-35-31-27-23-19-15-11-7-3)48-44-40-36-32-28-24-20-16-12-8-4;/h5-48H2,1-4H3;1H/q+1;/p-1
• InChIKey: SMEFTBPJZGVAPK-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tetradodecylazanium bromide
• IUPAC Traditional name: tetradodecylazanium bromide
• Synonyms: Tetralaurylammonium bromide; Tetradodecylammonium bromide; 四月桂基溴化铵; 四溴十二烷基铵

Database IDs

• CAS Number: 14866-34-3
• EC Number: 238-937-4
• MDL Number: MFCD00043168
• Beilstein Number: 5844282
• PubChem SID: 24888734; 162246621
• PubChem CID: 3014871

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 15.549626
• LogD (pH = 7.4): 15.549626
• Log P: 15.549626
• Molar Refractivity: 238.6281 cm^3
• Polarizability: 90.83912 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 44
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥99.0% (AT)
• Impurities: ≤0.5% water
• Linear Formula: [CH3(CH2)10CH2]4N(Br)

DETAILS

Sigma Aldrich - 87249

Packaging
5, 25 g in glass bottle