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AGN-795

CAT: 0931-T29727-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T29727-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
226571-05-7
Target
Others
Related Pathways
Others
Bioactivity
AGN-795 is a biochemical.
Smiles
C(C1CCC2=C(CCCC2)C1)c1cnc[nH]1 |t:4|
Molecular Formula
C14H20N2
Molecular Weight
216.328
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1H-Imidazole, 5-((1,2,3,4,5,6,7,8-octahydro-2-naphthalenyl)methyl)-
CAS Number226571-05-7
PubChem CID9855907
IUPAC Name5-(1,2,3,4,5,6,7,8-octahydronaphthalen-2-ylmethyl)-1H-imidazole
Molecular FormulaC14H20N2
Molecular Weight216.32
XLogP2.8
Topological Polar Surface Area28.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity282
SMILES
C1CCC2=C(C1)CCC(C2)CC3=CN=CN3
InChI
InChI=1S/C14H20N2/c1-2-4-13-7-11(5-6-12(13)3-1)8-14-9-15-10-16-14/h9-11H,1-8H2,(H,15,16)
InChIKey
MXJKNSWRBCTLNU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1H-Imidazole, 5-((1,2,3,4,5,6,7,8-octahydro-2-naphthalenyl)methyl)-
CAS: 226571-05-7
CID: 9855907
Formula: C14H20N2
MW: 216.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight216.32
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass216.162648646
Monoisotopic Mass216.162648646
Topological Polar Surface Area28.7 Ų
Heavy Atom Count16
Formal Charge0
Complexity282
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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