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Dodecane-d26

CAT: 0804-HY-W099602S-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-W099602S-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Dodecane-d26 is the deuterium labeled Dodecane[1].
CAS Number
16416-30-1
UNSPSC
12352211
Hazard Statement
H302, H315, H319, H335
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Concentration
10mM
Purity
99.6
Solubility
DMSO : 100 mg/mL (ultrasonic)
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])[2H]
Molecular Formula
C12D26
Molecular Weight
196.50
Precautions
H302, H315, H319, H335
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Dodecane-d26
CAS Number16416-30-1
PubChem CID16213433
IUPAC Name1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-hexacosadeuteriododecane
Molecular FormulaC12H26
Molecular Weight196.49
XLogP6.1
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count9
Heavy Atom Count12
Formal Charge0
Complexity56
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])[2H]
InChI
InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2
InChIKey
SNRUBQQJIBEYMU-DWXHPOBZSA-N
Chemical Structure
2D Structure
2D structure of Dodecane-d26
CAS: 16416-30-1
CID: 16213433
Formula: C12H26
MW: 196.49
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight196.49
XLogP36.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count9
Exact Mass196.366646224
Monoisotopic Mass196.366646224
Topological Polar Surface Area0 Ų
Heavy Atom Count12
Formal Charge0
Complexity56.4
Isotope Atom Count26
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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