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1-Bromooctane-d17

CAT: 0804-HY-W032015S-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W032015S-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
1-Bromooctane-d17 is the deuterium labeled 1-Bromooctane[1].
CAS Number
126840-36-6
UNSPSC
12352211
Hazard Statement
H400-H410
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
BrC([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
C8D17Br
Molecular Weight
210.23
Precautions
P273-P391-P501
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
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

1-Bromo(~2~H_17_)octane
CAS Number126840-36-6
PubChem CID16213278
IUPAC Name1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecadeuteriooctane
Molecular FormulaC8H17Br
Molecular Weight210.23
XLogP4.9
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count6
Heavy Atom Count9
Formal Charge0
Complexity43
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])Br
InChI
InChI=1S/C8H17Br/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2
InChIKey
VMKOFRJSULQZRM-OISRNESJSA-N
Chemical Structure
2D Structure
2D structure of 1-Bromo(~2~H_17_)octane
CAS: 126840-36-6
CID: 16213278
Formula: C8H17Br
MW: 210.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight210.23
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count6
Exact Mass209.15807
Monoisotopic Mass209.15807
Topological Polar Surface Area0 Ų
Heavy Atom Count9
Formal Charge0
Complexity43.8
Isotope Atom Count17
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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