didodecyldimethylazanium bromide

• ChemBase ID: 145060
• Molecular Formular: C26H56BrN
• Molecular Mass: 462.63354
• Monoisotopic Mass: 461.3596128
• SMILES: CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]
• Canonical SMILES: CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(C)C.[Br-]
• InChI: InChI=1S/C26H56N.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27(3,4)26-24-22-20-18-16-14-12-10-8-6-2;/h5-26H2,1-4H3;1H/q+1;/p-1
• InChIKey: XRWMGCFJVKDVMD-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: didodecyldimethylazanium bromide
• IUPAC Traditional name: didodecyldimethylazanium bromide
• Synonyms: Dimethyldidodecylammonium bromide; Didodecyldimethylammonium bromide; (Di-n-dodecyl)dimethylammonium bromide; N-Dodecyl-N,N-dimethyldodecan-1-aminium bromide; 溴化双十二烷基二甲基铵; 双十二烷基二甲基溴化铵; (二-正-十二烷基)二甲基溴化铵

Database IDs

• CAS Number: 3282-73-3
• EC Number: 221-923-7
• MDL Number: MFCD00041969
• Beilstein Number: 3576662
• PubChem SID: 24862851; 162239270; 24862048
• PubChem CID: 18669

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.7887297
• LogD (pH = 7.4): 5.7887297
• Log P: 5.7887297
• Molar Refractivity: 137.2649 cm^3
• Polarizability: 50.20448 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 22
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: ethanol: soluble0.1 g/mL, clear, colorless
• Melting Point: 157-162 °C(lit.); 157-162°C

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (AT); 95+%; 98%; 98+%
• Grade: purum
• Description: cationic
• Linear Formula: [CH3(CH2)11]2N(CH3)2(Br)

DETAILS

Sigma Aldrich - 359025

Packaging
2, 10 g in glass bottle

Sigma Aldrich - 36785

Other Notes
Useful amphiphile for model membrane structures1,2; Forms bicontinuous microemulsions with dodecane/water3