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2-Methylpiperazine-d10

CAT: 0804-HY-W015933SSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W015933SSize:1 mg
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Description
2-Methylpiperazine-d10 is the deuterium labeled 2-Methylpiperazine[1].
CAS Number
2363789-19-7
UNSPSC
12352005
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
[2H]C(N1)([2H])C([2H])([2H])NC([2H])([2H])C1([2H])C([2H])([2H])[2H]
Molecular Formula
C5H2D10N2
Molecular Weight
110.22
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

2-Methylpiperazine-d10
CAS Number2363789-19-7
PubChem CID162343531
IUPAC Name2,2,3,3,5,5,6-heptadeuterio-6-(trideuteriomethyl)piperazine
Molecular FormulaC5H12N2
Molecular Weight110.22
XLogP-0.4
Topological Polar Surface Area24.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity54
SMILES
[2H]C1(C(NC(C(N1)([2H])[2H])([2H])C([2H])([2H])[2H])([2H])[2H])[2H]
InChI
InChI=1S/C5H12N2/c1-5-4-6-2-3-7-5/h5-7H,2-4H2,1H3/i1D3,2D2,3D2,4D2,5D
InChIKey
JOMNTHCQHJPVAZ-NWURLDAXSA-N
Chemical Structure
2D Structure
2D structure of 2-Methylpiperazine-d10
CAS: 2363789-19-7
CID: 162343531
Formula: C5H12N2
MW: 110.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight110.22
XLogP3-0.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass110.162815851
Monoisotopic Mass110.162815851
Topological Polar Surface Area24.1 Ų
Heavy Atom Count7
Formal Charge0
Complexity54
Isotope Atom Count10
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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