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CAS No.: | 3700-67-2 |
---|---|
Name: | Dimethyldioctadecylammonium bromide |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C38H80N.Br |
Molecular Weight: | 630.964 |
Synonyms: | 1-Octadecanaminium,N,N-dimethyl-N-octadecyl-, bromide (9CI);Ammonium, dimethyldioctadecyl-, bromide(8CI);Dimethyldioctadecylammonium bromide (6CI,7CI);Bis(octadecyl)dimethylammonium bromide;DODA(Br);DODAB;DSDMAB;Di-n-octadecyldimethylammonium bromide;Dimethyldistearylammonium bromide;Dioctadecanyldimethylammonium bromide;Dioctadecyldimethylammonium bromide;Distearyldimethylammonium bromide;GERBUAdjuvant 10;GERBU Adjuvant 100;VSA 3; |
EINECS: | 223-037-6 |
Density: | 1.047 g/cm3 |
Melting Point: | ~160 °C |
Appearance: | white powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38-43 |
Safety: | 26-37/39 |
PSA: | 0.00000 |
LogP: | 10.58980 |
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The CAS register number of Dimethyldioctadecylammonium bromide is 3700-67-2. It also can be called as Distearyldimethylammonium bromide and the IUPAC name about this chemical is dimethyl(dioctadecyl)azanium bromide. It belongs to the following product categories, such as Ammonium Bromides (Quaternary), Quaternary Ammonium Compounds and so on.
Physical properties about Dimethyldioctadecylammonium bromide are: (1)ACD/LogP: 9.42; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 9.41; (4)ACD/LogD (pH 7.4): 9.41; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 3151619; (8)ACD/KOC (pH 7.4): 3151619; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 34.
Uses of Dimethyldioctadecylammonium bromide: it can be used to produce dioctadecyldimethylammonium p-styrenesulfonate with sodium 4-vinylbenzenesulphonate at temperature of 70 ℃. This reaction will need solvent H2O. The yield is about 95%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin and it may cause sensitization by skin contact. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: [Br-].C(CCCCC[N+](C)(CCCCCCCCCCCCCCCCCC)C)CCCCCCCCCCCC
(2)InChI: InChI=1/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
(3)InChIKey: PSLWZOIUBRXAQW-REWHXWOFAH
(4)Std. 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
(5)Std. InChIKey: PSLWZOIUBRXAQW-UHFFFAOYSA-M