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Dimethyl(dioctyl)azanium Bromide

CAT: 0572-TRC-D477315-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D477315-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3026-69-5
Synonyms
Dimethyldioctylammonium Bromide; Dioctyldimethylammonium Bromide; N,N-Dimethyl-N-octyl-1-octanaminium Bromide
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
[Br-].CCCCCCCC[N+](C)(C)CCCCCCCC
Molecular Formula
C18 H40 N . Br
Molecular Weight
350.42
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Dimethyldioctylammonium bromide
CAS Number3026-69-5
PubChem CID76408
IUPAC Namedimethyl(dioctyl)azanium bromide
Molecular FormulaC18H40BrN
Molecular Weight350.4
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count14
Heavy Atom Count20
Formal Charge0
Complexity157
SMILES
CCCCCCCC[N+](C)(C)CCCCCCCC.[Br-]
InChI
InChI=1S/C18H40N.BrH/c1-5-7-9-11-13-15-17-19(3,4)18-16-14-12-10-8-6-2;/h5-18H2,1-4H3;1H/q+1;/p-1
InChIKey
APTVNWGLSRAOFJ-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Dimethyldioctylammonium bromide
CAS: 3026-69-5
CID: 76408
Formula: C18H40BrN
MW: 350.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight350.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count14
Exact Mass349.23441
Monoisotopic Mass349.23441
Topological Polar Surface Area0 Ų
Heavy Atom Count20
Formal Charge0
Complexity157
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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