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Hexadecane-1,2-13C2

CAT: 0804-HY-W099580S-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W099580S-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Hexadecane-1,2-13C2 (n-Hexadecane-1,2-13C2) is the 13C labeled Hexadecane. Hexadecane (n-Hexadecane) is a saturated hydrocarbon of alkanes or paraffins and can be used as an organic solvent. Hexadecane is a component of petroleum, belongs to hydrophobic substrates, and is a model substance for studying bacterial degradation of hydrophobic compounds[1].
CAS Number
158563-27-0
Product Name Alternative
N-Hexadecane-1,2-13C2; Cetane-1,2-13C2
UNSPSC
12352211
Hazard Statement
H315-H318
Target
Bacterial; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Anti-infection; Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/hexadecane-1-2-13c2.html
Solubility
10 mM in DMSO
Smiles
[13CH3][13CH2]CCCCCCCCCCCCCC
Molecular Formula
C14 13C2H34
Molecular Weight
228.43
Precautions
P264-P280-P302+P352-P305+P351+P338-P362+P364
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
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

(1,2-~13~C_2_)Hexadecane
CAS Number158563-27-0
PubChem CID16213304
IUPAC Name(1,2-13C2)hexadecane
Molecular FormulaC16H34
Molecular Weight228.43
XLogP8.3
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count13
Heavy Atom Count16
Formal Charge0
Complexity92
SMILES
CCCCCCCCCCCCCC[13CH2][13CH3]
InChI
InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3/i1+1,3+1
InChIKey
DCAYPVUWAIABOU-ZKDXJZICSA-N
Chemical Structure
2D Structure
2D structure of (1,2-~13~C_2_)Hexadecane
CAS: 158563-27-0
CID: 16213304
Formula: C16H34
MW: 228.43
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight228.43
XLogP38.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count13
Exact Mass228.272760755
Monoisotopic Mass228.272760755
Topological Polar Surface Area0 Ų
Heavy Atom Count16
Formal Charge0
Complexity92.6
Isotope Atom Count2
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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