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Proxyfan oxalate

CAT: 0607-B7071-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B7071-50Size:50 mg
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Description
histamine H3 receptor ligand
CAS Number
177708-09-7
Product Name Alternative
5-(3-(benzyloxy)propyl)-1H-imidazole oxalate
Field of Research
Neuroscience Histamine Receptor
Form
White solid
Solubility
<33.24mg/ml in DMSO; <33.23mg/ml in H2O
Smiles
OC(C(O)=O)=O.C1(COCCCC2=CN=CN2)=CC=CC=C1
Molecular Formula
C13H16N2O·C2H2O4
Molecular Weight
306.32
Shipping Conditions
Blue ice
Storage Conditions
Desiccate at RT.

Chemical Information

Proxyfan

5-(3-phenylmethoxypropyl)-1H-imidazole is a benzyl ether.

CAS Number177708-09-7
PubChem CID6421522
IUPAC Name5-(3-phenylmethoxypropyl)-1H-imidazole
Molecular FormulaC13H16N2O
Molecular Weight216.28
XLogP2.1
Topological Polar Surface Area37.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count16
Formal Charge0
Complexity181
SMILES
C1=CC=C(C=C1)COCCCC2=CN=CN2
InChI
InChI=1S/C13H16N2O/c1-2-5-12(6-3-1)10-16-8-4-7-13-9-14-11-15-13/h1-3,5-6,9,11H,4,7-8,10H2,(H,14,15)
InChIKey
WNWALBVQAAIULR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Proxyfan
CAS: 177708-09-7
CID: 6421522
Formula: C13H16N2O
MW: 216.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight216.28
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass216.126263138
Monoisotopic Mass216.126263138
Topological Polar Surface Area37.9 Ų
Heavy Atom Count16
Formal Charge0
Complexity181
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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