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4,4'-Dipyridyl-d8

CAT: 0572-TRC-D492727-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D492727-25MGSize:25 mg
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CAS Number
132125-39-4
Synonyms
4,4'-Bipyridine-2,2',3,3',5,5',6,6'-d8; 4,4'-Bipyridine-d8; SERS 421
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
[2H]c1nc([2H])c([2H])c(c1[2H])c2c([2H])c([2H])nc([2H])c2[2H]
Molecular Formula
C10 2H8 N2
Molecular Weight
164.23
InChI
InChI=1S/C10H8N2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-8H/i1D,2D,3D,4D,5D,6D,7D,8D
Additionnal Information
IUPAC name: 2,3,5,6-tetradeuterio-4-(2,3,5,6-tetradeuteriopyridin-4-yl)pyridine
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

4,4'-Dipyridyl-D8
CAS Number132125-39-4
PubChem CID16217606
IUPAC Name2,3,5,6-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-pyridinyl)pyridine
Molecular FormulaC10H8N2
Molecular Weight164.23
XLogP1.4
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity108
SMILES
[2H]C1=C(N=C(C(=C1C2=C(C(=NC(=C2[2H])[2H])[2H])[2H])[2H])[2H])[2H]
InChI
InChI=1S/C10H8N2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-8H/i1D,2D,3D,4D,5D,6D,7D,8D
InChIKey
MWVTWFVJZLCBMC-PGRXLJNUSA-N
Chemical Structure
2D Structure
2D structure of 4,4'-Dipyridyl-D8
CAS: 132125-39-4
CID: 16217606
Formula: C10H8N2
MW: 164.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight164.23
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass164.118962231
Monoisotopic Mass164.118962231
Topological Polar Surface Area25.8 Ų
Heavy Atom Count12
Formal Charge0
Complexity108
Isotope Atom Count8
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes