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Compound Fr12338

CAT: 0013-GTR19269787-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269787-02Size:100 mg
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Description
Compound Fr12338, with CAS No. 38869-37-3, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr12338 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
38869-37-3
Purity
99.84% (May vary between batches)
Smiles
Br.Br.Oc1ccc (cc1) N1CCNCC1
Molecular Formula
C10H14N2O.2BrH
Molecular Weight
340.06
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

p-(1-Piperazinyl)phenol dihydrobromide
CAS Number38869-37-3
PubChem CID2723591
IUPAC Name4-piperazin-1-ylphenol;dihydrobromide
Molecular FormulaC10H16Br2N2O
Molecular Weight340.05
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity149
SMILES
C1CN(CCN1)C2=CC=C(C=C2)O.Br.Br
InChI
InChI=1S/C10H14N2O.2BrH/c13-10-3-1-9(2-4-10)12-7-5-11-6-8-12;;/h1-4,11,13H,5-8H2;2*1H
InChIKey
IRGIAGAHMWSRKP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of p-(1-Piperazinyl)phenol dihydrobromide
CAS: 38869-37-3
CID: 2723591
Formula: C10H16Br2N2O
MW: 340.05
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.05
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass339.96089
Monoisotopic Mass337.96294
Topological Polar Surface Area35.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity149
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

Related Products

CatalogName
GTR19270084-01Compound Fr14338
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GTR19269859-01Compound Fr12938
GTR19269897-01Compound Fr13232
GTR19269894-01Compound Fr13218
GTR19269866-01Compound Fr12998
GTR19269797-01Compound Fr12384
GTR19269784-01Compound Fr12288
GTR19269858-01Compound Fr12937
GTR19269843-01Compound Fr12818

Alternative Products

CatalogName
ALX-550-516-M025Compound A
XXC35825-01Compound 3a
Fr16729-01Compound Fr16729
PDK0296-01Compound PDK0296
PDK0264-01Compound PDK0264
Fr14090-01Compound Fr14090
Fr14018-01Compound Fr14018
Fr13991-01Compound Fr13991
Fr13830-01Compound Fr13830
Fr13814-01Compound Fr13814

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