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Pyrrolidine-d8

CAT: 0572-TRC-P997952-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P997952-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
212625-79-1
Synonyms
Azacyclopentane-d8; Azolidine-d8; Butylenimine-d8; NSC 62781-d8; Perhydropyrrole-d8; Prolamine-d8; Tetrahydropyrrole-d8; Tetramethylenimine-d8; Pyrrolidine-2,2,3,3,4,4,5,5-d8 (9CI, ACI); Pyrrolidine-D8; Octadeuteriopyrrolidine; Pyrrolidine-2,2,3,3,4,4,5,5-d8
Hazard Statement
No Data Available
Smiles
[2H]C1([2H])NC([2H])([2H])C([2H])([2H])C1([2H])[2H]
Molecular Formula
C4 D8 H N
Molecular Weight
79.17
InChI
InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2/i1D2,2D2,3D2,4D2
Additionnal Information
IUPAC name: 2,2,3,3,4,4,5,5-octadeuteriopyrrolidine
Shipping Conditions
Ice Packs
Storage Conditions
+4°C

Chemical Information

Pyrrolidine-2,2,3,3,4,4,5,5-d8
CAS Number212625-79-1
PubChem CID12196044
IUPAC Name2,2,3,3,4,4,5,5-octadeuteriopyrrolidine
Molecular FormulaC4H9N
Molecular Weight79.17
XLogP0.5
Topological Polar Surface Area12
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count5
Formal Charge0
Complexity22
SMILES
[2H]C1(C(C(NC1([2H])[2H])([2H])[2H])([2H])[2H])[2H]
InChI
InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2/i1D2,2D2,3D2,4D2
InChIKey
RWRDLPDLKQPQOW-SVYQBANQSA-N
Chemical Structure
2D Structure
2D structure of Pyrrolidine-2,2,3,3,4,4,5,5-d8
CAS: 212625-79-1
CID: 12196044
Formula: C4H9N
MW: 79.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight79.17
XLogP30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass79.123713259
Monoisotopic Mass79.123713259
Topological Polar Surface Area12 Ų
Heavy Atom Count5
Formal Charge0
Complexity22.8
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

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