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Tridecane-d28

CAT: 0804-HY-W088037S-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W088037S-02Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Tridecane-d28 is the deuterium labeled Tridecane[1]. Tridecane is a short chain aliphatic hydrocarbon containing 13 carbon atoms. Tridecane is an volatile oil component isolated from essential oil of Piper aduncum L. Tridecane is a stress compound released by the brown marmorated stink bugs stress compound[2][3].
CAS Number
121578-12-9
UNSPSC
12352211
Hazard Statement
H302, H315, H319, H335
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Purity
98.05
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])C([2H])([2H])[2H]
Molecular Formula
C13D28
Molecular Weight
212.53
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.|[2]Pallavi Mohekar, et al. Influence of Winemaking Processing Steps on the Amounts of (E) -2-Decenal and Tridecane as Off-Odorants Caused by Brown Marmorated Stink Bug (Halyomorpha halys) . J Agric Food Chem. 2017 Feb 1;65 (4) :872-878.|[3]Motoi Yamashita, et al. The effect of pressure on the phase transition behavior of tridecane, pentadecane, and heptadecane: a Fourier transform infrared spectroscopy study. J Chem Phys. 2011 Apr 14134 (14) :144503.
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

(2H28)tridecane
CAS Number121578-12-9
PubChem CID56846000
IUPAC Name1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-octacosadeuteriotridecane
Molecular FormulaC13H28
Molecular Weight212.53
XLogP6.6
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count10
Heavy Atom Count13
Formal Charge0
Complexity66
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])C([2H])([2H])[2H]
InChI
InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2
InChIKey
IIYFAKIEWZDVMP-KRQNKTCESA-N
Chemical Structure
2D Structure
2D structure of (2H28)tridecane
CAS: 121578-12-9
CID: 56846000
Formula: C13H28
MW: 212.53
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight212.53
XLogP36.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count10
Exact Mass212.394849780
Monoisotopic Mass212.394849780
Topological Polar Surface Area0 Ų
Heavy Atom Count13
Formal Charge0
Complexity66.1
Isotope Atom Count28
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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