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Decyltrimethylammonium-d21 (bromide)

CAT: 0804-HY-W008630S-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W008630S-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
N, N, N-Trimethyldecan-1-aminium-d21 bromide is the deuterium labeled N, N, N-Trimethyldecan-1-aminium bromide[1].
CAS Number
1515861-67-2
UNSPSC
12352211
Hazard Statement
H302, H315, H319, H335
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Purity
99.90
Solubility
DMSO : 100 mg/mL (ultrasonic; warming)
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])([N+](C)(C)C)[2H].[Br-]
Molecular Formula
C13H9D21BrN
Molecular Weight
301.42
Precautions
H302, H315, H319, H335
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

n-Decyl-d21-trimethylammonium Bromide
CAS Number1515861-67-2
PubChem CID162343542
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosadeuteriodecyl(trimethyl)azanium bromide
Molecular FormulaC13H30BrN
Molecular Weight301.42
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count9
Heavy Atom Count15
Formal Charge0
Complexity113
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])[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/i1D3,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2;
InChIKey
PLMFYJJFUUUCRZ-KYIJYTBRSA-M
Chemical Structure
2D Structure
2D structure of n-Decyl-d21-trimethylammonium Bromide
CAS: 1515861-67-2
CID: 162343542
Formula: C13H30BrN
MW: 301.42
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight301.42
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count9
Exact Mass300.28797
Monoisotopic Mass300.28797
Topological Polar Surface Area0 Ų
Heavy Atom Count15
Formal Charge0
Complexity113
Isotope Atom Count21
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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TYD-01283-01Decyltrimethylammonium bromide
D01250Decyltrimethylammonium bromide 98%
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GTR19244866-01Decyltrimethylammonium chloride
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581081D21-2393
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