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4-Cyanoquinuclidine

CAT: 0024-sc-284217ASize: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-284217ASize:5 g
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CAS Number
26458-78-6

Chemical Information

1-Azabicyclo[2.2.2]octane-4-carbonitrile
CAS Number26458-78-6
PubChem CID141292
IUPAC Name1-azabicyclo[2.2.2]octane-4-carbonitrile
Molecular FormulaC8H12N2
Molecular Weight136.19
XLogP0.4
Topological Polar Surface Area27
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity167
SMILES
C1CN2CCC1(CC2)C#N
InChI
InChI=1S/C8H12N2/c9-7-8-1-4-10(5-2-8)6-3-8/h1-6H2
InChIKey
CEMKLAOKVLRABO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Azabicyclo[2.2.2]octane-4-carbonitrile
CAS: 26458-78-6
CID: 141292
Formula: C8H12N2
MW: 136.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight136.19
XLogP30.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass136.100048391
Monoisotopic Mass136.100048391
Topological Polar Surface Area27 Ų
Heavy Atom Count10
Formal Charge0
Complexity167
Isotope Atom Count0
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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CatalogName
431997-014-Cyanoquinuclidine
OR3700682-Cyanoquinuclidine
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