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Piperazine-d8 (dihydrochloride)

CAT: 0804-HY-W102570SSize: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-W102570SSize:1 Each
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CAS Number
849482-21-9
Product Name Alternative
1,4-Diazacyclohexane-d8 (dihydrochloride)

Chemical Information

(2,2,3,3,5,5,6,6-~2~H_8_)Piperazine--hydrogen chloride (1/2)
CAS Number849482-21-9
PubChem CID49849345
IUPAC Name2,2,3,3,5,5,6,6-octadeuteriopiperazine;dihydrochloride
Molecular FormulaC4H12Cl2N2
Molecular Weight167.10
Topological Polar Surface Area24.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity26
SMILES
[2H]C1(C(NC(C(N1)([2H])[2H])([2H])[2H])([2H])[2H])[2H].Cl.Cl
InChI
InChI=1S/C4H10N2.2ClH/c1-2-6-4-3-5-1;;/h5-6H,1-4H2;2*1H/i1D2,2D2,3D2,4D2;;
InChIKey
CVVIJWRCGSYCMB-VHGLFXLXSA-N
Chemical Structure
2D Structure
2D structure of (2,2,3,3,5,5,6,6-~2~H_8_)Piperazine--hydrogen chloride (1/2)
CAS: 849482-21-9
CID: 49849345
Formula: C4H12Cl2N2
MW: 167.10
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight167.10
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass166.0879677
Monoisotopic Mass166.0879677
Topological Polar Surface Area24.1 Ų
Heavy Atom Count8
Formal Charge0
Complexity26.5
Isotope Atom Count8
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes