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1-Bromotridecane-d4

CAT: 0804-HY-W110702S1-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W110702S1-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
1-Bromotridecane-d4 is the deuterium labeled 1-Bromotridecane[1].
CAS Number
284474-45-9
UNSPSC
12352211
Hazard Statement
H302, H315, H319, H335
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Purity
99.2
Solubility
10 mM in DMSO
Smiles
CCCCCCCCCCCC([2H])([2H])C([2H])(Br)[2H]
Molecular Formula
C13H23D4Br
Molecular Weight
267.28
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
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

1-Bromo(1,1,2,2-~2~H_4_)tridecane
CAS Number284474-45-9
PubChem CID16213508
IUPAC Name1-bromo-1,1,2,2-tetradeuteriotridecane
Molecular FormulaC13H27Br
Molecular Weight267.28
XLogP7.6
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count11
Heavy Atom Count14
Formal Charge0
Complexity91
SMILES
[2H]C([2H])(CCCCCCCCCCC)C([2H])([2H])Br
InChI
InChI=1S/C13H27Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-13H2,1H3/i12D2,13D2
InChIKey
BFDNZQUBFCYTIC-IDPVZSQYSA-N
Chemical Structure
2D Structure
2D structure of 1-Bromo(1,1,2,2-~2~H_4_)tridecane
CAS: 284474-45-9
CID: 16213508
Formula: C13H27Br
MW: 267.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight267.28
XLogP37.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count11
Exact Mass266.15472
Monoisotopic Mass266.15472
Topological Polar Surface Area0 Ų
Heavy Atom Count14
Formal Charge0
Complexity91.2
Isotope Atom Count4
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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