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Dodecyltrimethylammonium-d25 (bromide)

CAT: 0804-HY-D0838SSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-D0838SSize:1 mg
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Description
Dodecyltrimethylammonium-d25 (bromide) is the deuterium labeled Dodecyltrimethylammonium (bromide) [1]. Dodecyltrimethylammonium bromide (DTAB) is a surfactant. Dodecyltrimethylammonium bromide interacts with DNA and changes the mechanical properties of DNA on binding and the specific binding parameters of the interaction[2].
CAS Number
2309360-05-0
UNSPSC
12352211
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[N+](C)(C)C.[Br-]
Molecular Formula
C15H9D25BrN
Molecular Weight
333.50
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.|[2]E F Silva, et al. Dodecyltrimethylammonium bromide surfactant effects on DNA: Unraveling the competition between electrostatic and hydrophobic interactions.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

n-Dodecyl-d25-trimethylammonium Bromide
CAS Number2309360-05-0
PubChem CID162343643
IUPAC Nametrimethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosadeuteriododecyl)azanium bromide
Molecular FormulaC15H34BrN
Molecular Weight333.49
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count11
Heavy Atom Count17
Formal Charge0
Complexity135
SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[N+](C)(C)C.[Br-]
InChI
InChI=1S/C15H34N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1/i1D3,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2;
InChIKey
XJWSAJYUBXQQDR-MMHLDRISSA-M
Chemical Structure
2D Structure
2D structure of n-Dodecyl-d25-trimethylammonium Bromide
CAS: 2309360-05-0
CID: 162343643
Formula: C15H34BrN
MW: 333.49
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight333.49
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count11
Exact Mass332.34438
Monoisotopic Mass332.34438
Topological Polar Surface Area0 Ų
Heavy Atom Count17
Formal Charge0
Complexity135
Isotope Atom Count25
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
TRC-D525490-2.5GDodecyltrimethylammonium Bromide
LC-10053.2Dodecyltrimethylammonium bromide p.A.
GE1100-10gDodecyltrimethylammonium bromide, 99%, for IPC
D525741n-Dodecyltrimethylammonium-d34 Bromide
53499-01Dodecyltrimethylammonium Bromide (DOTAB) PrimeDx, 99%
24940-01Dodecyltrimethylammonium Bromide (DOTAB) pure, 99%
ST1281-100gDodecyltrimethylammonium bromide (≥99%, Reagent grade)
D525742n-Dodecyl-d25-trimethylammonium Bromide
TRC-D441746-5MGDi-n-dodecyl-d25-dimethylammonium Bromide (mono-n-dodecyl-d25)

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