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Dimethyldioctadecylammonium bromide

CAT: 0024-sc-239789Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-239789Size:5 g
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CAS Number
3700-67-2

Chemical Information

Dimethyldioctadecylammonium bromide
CAS Number3700-67-2
PubChem CID77293
IUPAC Namedimethyl(dioctadecyl)azanium bromide
Molecular FormulaC38H80BrN
Molecular Weight631.0
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count34
Heavy Atom Count40
Formal Charge0
Complexity390
SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.[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
Chemical Structure
2D Structure
2D structure of Dimethyldioctadecylammonium bromide
CAS: 3700-67-2
CID: 77293
Formula: C38H80BrN
MW: 631.0
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight631.0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count34
Exact Mass629.54741
Monoisotopic Mass629.54741
Topological Polar Surface Area0 Ų
Heavy Atom Count40
Formal Charge0
Complexity390
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-131119-01Dimethyldioctadecylammonium (bromide)
D8910-01Dimethyldioctadecylammonium Bromide
HY-131119S-01Dimethyldioctadecylammonium-d74 (bromide)
14702-25Dimethyldioctadecylammonium Bromide Salt
GTR19244965-01Dimethyldioctadecylammonium iodide
HY-W127662-01Dimethyldioctadecylammonium (iodide)
TRC-D480848-5GDimethyldioctadecylammonium Chloride (mixture of C16 to C18 chain lengths)
29309654-500gHexadecyltrimethylammonium bromide (Cetyltrimethylammonium bromide)
CB0105Cetyldimethylethyl ammonium bromide (Ethylhexadecyldimethylammonium bromide)
AR-I03852-01Ipratropium Bromide Impurity 11 Bromide

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