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Tetrahexadecylammonium bromide

CAT: 0024-sc-251184Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-251184Size:1 g
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CAS Number
139653-55-7

Chemical Information

Tetrahexadecylammonium bromide
CAS Number139653-55-7
PubChem CID12073128
IUPAC Nametetrahexadecylazanium bromide
Molecular FormulaC64H132BrN
Molecular Weight995.6
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count60
Heavy Atom Count66
Formal Charge0
Complexity670
SMILES
CCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC.[Br-]
InChI
InChI=1S/C64H132N.BrH/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65(62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4;/h5-64H2,1-4H3;1H/q+1;/p-1
InChIKey
RBIRNUUGKIFHKK-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Tetrahexadecylammonium bromide
CAS: 139653-55-7
CID: 12073128
Formula: C64H132BrN
MW: 995.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight995.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count60
Exact Mass993.95432
Monoisotopic Mass993.95432
Topological Polar Surface Area0 Ų
Heavy Atom Count66
Formal Charge0
Complexity670
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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