dimethyldioctadecylazanium bromide

• ChemBase ID: 103208
• Molecular Formular: C38H80BrN
• Molecular Mass: 630.9525
• Monoisotopic Mass: 629.54741357
• SMILES: [Br-].CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(C)C.[Br-]
• InChI: InChI=1S/C38H80N.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-38H2,1-4H3;1H/q+1;/p-1
• InChIKey: PSLWZOIUBRXAQW-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyldioctadecylazanium bromide
• IUPAC Traditional name: dimethyldioctadecylazanium bromide
• Synonyms: Dimethyldioctadecylammonium bromide; DDA; Distearyldimethylammonium bromide; DIMETHYLDIOCTADECYL AMMONIUM BROMIDE; N,N-Dimethyl-N-octadecyloctadecan-1-aminium bromide; 二甲基二(十八烷基)溴化铵; 双十八烷基二甲基溴化铵

Database IDs

• CAS Number: 3700-67-2
• EC Number: 223-037-6
• MDL Number: MFCD00041975
• Beilstein Number: 3580323
• PubChem SID: 24893713; 162090549; 24865032
• PubChem CID: 77293

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 11.123553
• LogD (pH = 7.4): 11.123553
• Log P: 11.123553
• Molar Refractivity: 192.4769 cm^3
• Polarizability: 72.36879 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 34
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: ~160 °C; 155°C

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; R:36/37/38
• Safety Statements: 26; S:20-25-26-37/39
• 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: ≥98% (TLC); ≥98.0% (AT); ≥99.0%; ≥99.0% (T); 95%; 95+%
• Grade: purum; Selectophore™
• Description: cationic
• Linear Formula: [CH3(CH2)17]2N(Br)(CH3)2

DETAILS

MP Biomedicals - 02150939

Reported to be a highly active agent for enhancement of the immune response. Acts as a substitute for Freund's Adjuvant.

Sigma Aldrich - D2779

包装
10, 50 g in glass bottle

Sigma Aldrich - 40163

General description
Visit our Sensor Applications portal to learn more.
Legal Information
Selectophore is a trademark of Sigma-Aldrich GmbH

REFERENCES

• Cancer Res. , 43 : 3633 (1983).