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Immethridine dihydrobromide

CAT: 0607-B7017-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B7017-10Size:10 mg
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Description
histamine H3 receptor agonist
CAS Number
699020-93-4
Product Name Alternative
4-((1H-imidazol-5-yl)methyl)pyridine dihydrobromide
Field of Research
Neuroscience Histamine Receptor
Purity
0.98
Form
Off White solid
Solubility
<32.1mg/ml in H2O
Smiles
C1(CC2=CC=NC=C2)=CN=CN1.Br.Br
Molecular Formula
C9H9N3·2HBr
Molecular Weight
321.01
Shipping Conditions
Blue ice
Storage Conditions
Desiccate at RT.

Chemical Information

Immethridine dihydrobromide
CAS Number699020-93-4
PubChem CID16759172
IUPAC Name4-(1H-imidazol-5-ylmethyl)pyridine;dihydrobromide
Molecular FormulaC9H11Br2N3
Molecular Weight321.01
Topological Polar Surface Area41.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity132
SMILES
C1=CN=CC=C1CC2=CN=CN2.Br.Br
InChI
InChI=1S/C9H9N3.2BrH/c1-3-10-4-2-8(1)5-9-6-11-7-12-9;;/h1-4,6-7H,5H2,(H,11,12);2*1H
InChIKey
CYNKWHIKNDIVDR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Immethridine dihydrobromide
CAS: 699020-93-4
CID: 16759172
Formula: C9H11Br2N3
MW: 321.01
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight321.01
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass320.92992
Monoisotopic Mass318.93197
Topological Polar Surface Area41.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity132
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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