bis(decyl)dimethylazanium bromide

• ChemBase ID: 138409
• Molecular Formular: C22H48BrN
• Molecular Mass: 406.52722
• Monoisotopic Mass: 405.29701254
• SMILES: CCCCCCCCCC[N+](C)(C)CCCCCCCCCC.[Br-]
• Canonical SMILES: CCCCCCCCCC[N+](CCCCCCCCCC)(C)C.[Br-]
• InChI: InChI=1S/C22H48N.BrH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1
• InChIKey: UMGXUWVIJIQANV-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(decyl)dimethylazanium bromide
• IUPAC Traditional name: didecyl-dimethyl-ammonium bromide
• Synonyms: DDAB; Didecyldimethylammonium bromide; Didecyldimethylammonium bromide solution; Di-n-decyl dimethylammonium bromide; 双十烷基二甲基溴化铵; 双十烷基二甲基溴化铵 溶液; 二癸基二甲基溴化铵

Database IDs

• CAS Number: 2390-68-3
• EC Number: 219-234-1
• MDL Number: MFCD00012194
• Beilstein Number: 6492993
• PubChem SID: 162232665; 24863889
• PubChem CID: 16957

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.0104547
• LogD (pH = 7.4): 4.0104547
• Log P: 4.0104547
• Molar Refractivity: 118.8609 cm^3
• Polarizability: 42.816418 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 18
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 149-151 °C(lit.)
• Refractive Index: 1.4570

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; 36/38
• Safety Statements: 26; 26-28.1-36/37/39-45; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280-P305+P351+P338-P302+P352-P321-P362-P332+P313
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥97.0% (AT); 80% aq. gel; 98%
• Concentration: 75 wt. % gel in H2O; 80 wt. % in ethanol/water (15:5)
• Grade: purum; technical grade
• Linear Formula: [CH3(CH2)9]2N(CH3)2Br

DETAILS

Sigma Aldrich - 382310

Packaging
1, 5 g in glass bottle

Sigma Aldrich - 36750

Other Notes
Non-symmetric phase transfer catalyst specially suited for RuCl3-catalyzed oxidations1,2