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Hex-3-enedinitrile

CAT: 0013-GTR19275331-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19275331-02Size:50 mg
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Description
Hex-3-enedinitrile is a PROTAC linker used in the synthesis of PROTAC molecules.
CAS Number
1119-85-3
Smiles
N#CCC=CCC#N
Molecular Formula
C6H6N2
Molecular Weight
106.13
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-Hexenedinitrile
CAS Number1119-85-3
PubChem CID5324708
IUPAC Name(E)-hex-3-enedinitrile
Molecular FormulaC6H6N2
Molecular Weight106.13
XLogP0.2
Topological Polar Surface Area47.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity141
SMILES
C(/C=C/CC#N)C#N
InChI
InChI=1S/C6H6N2/c7-5-3-1-2-4-6-8/h1-2H,3-4H2/b2-1+
InChIKey
BSVZXPLUMFUWHW-OWOJBTEDSA-N
Chemical Structure
2D Structure
2D structure of 3-Hexenedinitrile
CAS: 1119-85-3
CID: 5324708
Formula: C6H6N2
MW: 106.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight106.13
XLogP30.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass106.053098200
Monoisotopic Mass106.053098200
Topological Polar Surface Area47.6 Ų
Heavy Atom Count8
Formal Charge0
Complexity141
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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