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Decyltrimethylammonium bromide

CAT: 0127-OR72780-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0127-OR72780-01Size:25 g
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CAS Number
2082-84-0
Synonyms
DTAB, Trimethyldecylammonium bromide
MDL Number
MFCD00041973
Purity
97%
Smiles
CCCCCCCCCC[N+](C)(C)C.[Br-]

Chemical Information

Decyltrimethylammonium bromide

Decyltrimethylammonium bromide is a quarternary ammonium salt whose basic unit comprises a decyltrimethylammonium cation and a bromide anion. It has a role as a surfactant. It is a bromide salt and a quaternary ammonium salt. It contains a decyltrimethylammonium ion.

CAS Number2082-84-0
PubChem CID16388
IUPAC Namedecyl(trimethyl)azanium bromide
Molecular FormulaC13H30BrN
Molecular Weight280.29
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count9
Heavy Atom Count15
Formal Charge0
Complexity113
SMILES
CCCCCCCCCC[N+](C)(C)C.[Br-]
InChI
InChI=1S/C13H30N.BrH/c1-5-6-7-8-9-10-11-12-13-14(2,3)4;/h5-13H2,1-4H3;1H/q+1;/p-1
InChIKey
PLMFYJJFUUUCRZ-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Decyltrimethylammonium bromide
CAS: 2082-84-0
CID: 16388
Formula: C13H30BrN
MW: 280.29
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight280.29
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count9
Exact Mass279.15616
Monoisotopic Mass279.15616
Topological Polar Surface Area0 Ų
Heavy Atom Count15
Formal Charge0
Complexity113
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