dimethylditetradecylazanium bromide

• ChemBase ID: 136806
• Molecular Formular: C30H64BrN
• Molecular Mass: 518.73986
• Monoisotopic Mass: 517.42221305
• SMILES: CCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCC.[Br-]
• Canonical SMILES: CCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCC)(C)C.[Br-]
• InChI: InChI=1S/C30H64N.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31(3,4)30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-30H2,1-4H3;1H/q+1;/p-1
• InChIKey: IRMGVPILCPGYNQ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethylditetradecylazanium bromide
• IUPAC Traditional name: dimethylditetradecylazanium bromide
• Synonyms: Ditetradecyldimethylammonium bromide; Dimethylditetradecylammonium bromide; N,N-Dimethyl-N-tetradecyltetradecan-1-aminium bromide; 溴化双十四烷基二甲基铵; 双十四烷基二甲基溴化铵

Database IDs

• CAS Number: 68105-02-2
• EC Number: 268-474-3
• MDL Number: MFCD00191429
• Beilstein Number: 4050300
• PubChem SID: 24865067; 162231075
• PubChem CID: 3017829

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.567004
• LogD (pH = 7.4): 7.567004
• Log P: 7.567004
• Molar Refractivity: 155.6689 cm^3
• Polarizability: 57.592564 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 26
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 167-169 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• 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: ≥97.0% (NT); 95+%; 97%
• Linear Formula: [CH3(CH2)13]2N(Br)(CH3)2

DETAILS

Sigma Aldrich - 40225

Other Notes
Double-chained surfactant used as lipid model, bilayer-forming amphiphile1,2
Packaging
5 g in glass bottle