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1,4-Cyclohexane-d10

CAT: 0804-HY-W007732BSSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W007732BSSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
1,4-Cyclohexane-d10 is the deuterium labeled 1,4-Cyclohexane[1].
CAS Number
1219802-80-8
UNSPSC
12352211
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
NC1([2H])C([2H])([2H])C([2H])([2H])C(C([2H])([2H])C1([2H])[2H])([2H])N
Molecular Formula
C6H4D10N2
Molecular Weight
124.25
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

1,4-Cyclohexane-d10-diamine (cis/trans mixture)
CAS Number1219802-80-8
PubChem CID168007020
IUPAC Name1,2,2,3,3,4,5,5,6,6-decadeuteriocyclohexane-1,4-diamine
Molecular FormulaC6H14N2
Molecular Weight124.25
XLogP-0.3
Topological Polar Surface Area52
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity54
SMILES
[2H]C1(C(C(C(C(C1([2H])N)([2H])[2H])([2H])[2H])([2H])N)([2H])[2H])[2H]
InChI
InChI=1S/C6H14N2/c7-5-1-2-6(8)4-3-5/h5-6H,1-4,7-8H2/i1D2,2D2,3D2,4D2,5D,6D
InChIKey
VKIRRGRTJUUZHS-MBXGXEIXSA-N
Chemical Structure
2D Structure
2D structure of 1,4-Cyclohexane-d10-diamine (cis/trans mixture)
CAS: 1219802-80-8
CID: 168007020
Formula: C6H14N2
MW: 124.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight124.25
XLogP3-0.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass124.178465915
Monoisotopic Mass124.178465915
Topological Polar Surface Area52 Ų
Heavy Atom Count8
Formal Charge0
Complexity54.9
Isotope Atom Count10
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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D4162361,2-Cyclohexane-d10-diamine (cis/trans mixture)
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