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VUF 5681 dihydrobromide

CAT: 0013-GTR19200695-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200695-01Size:25 mg
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Description
VUF 5681 dihydrobromide
CAS Number
639089-06-8
Field of Research
Immunology & Inflammation, Neuroscience, Pharmacology & Drug Discovery
Smiles
C1 (CCCC2CCNCC2) =CN=CN1.Br.Br
Molecular Formula
C11H21Br2N3
Molecular Weight
355.11
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

VUF 5681 dihydrobromide
CAS Number639089-06-8
PubChem CID53440140
IUPAC Name4-[3-(1H-imidazol-5-yl)propyl]piperidine;dihydrobromide
Molecular FormulaC11H21Br2N3
Molecular Weight355.11
Topological Polar Surface Area40.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity155
SMILES
C1CNCCC1CCCC2=CN=CN2.Br.Br
InChI
InChI=1S/C11H19N3.2BrH/c1(3-11-8-13-9-14-11)2-10-4-6-12-7-5-10;;/h8-10,12H,1-7H2,(H,13,14);2*1H
InChIKey
YFFVIGXPKWSZHW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of VUF 5681 dihydrobromide
CAS: 639089-06-8
CID: 53440140
Formula: C11H21Br2N3
MW: 355.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight355.11
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass355.00817
Monoisotopic Mass353.01022
Topological Polar Surface Area40.7 Ų
Heavy Atom Count16
Formal Charge0
Complexity155
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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