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Compound Fr13566

CAT: 0931-Fr13566-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr13566-01Size:100 mg
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CAS Number
674284-12-9
Bioactivity
Compound Fr13566, with CAS No. 674284-12-9, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13566 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.
Smiles
I.Clc1ccc(cc1)C(=C)NCc1cccnc1
Molecular Formula
C14H13ClN2.HI
Molecular Weight
372.63
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-[1-(4-chlorophenyl)vinyl]-N-(3-pyridylmethyl)amine hydroiodide
CAS Number674284-12-9
PubChem CID2806951
IUPAC Name1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)ethenamine;hydroiodide
Molecular FormulaC14H14ClIN2
Molecular Weight372.63
Topological Polar Surface Area24.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity247
SMILES
C=C(C1=CC=C(C=C1)Cl)NCC2=CN=CC=C2.I
InChI
InChI=1S/C14H13ClN2.HI/c1-11(13-4-6-14(15)7-5-13)17-10-12-3-2-8-16-9-12;/h2-9,17H,1,10H2;1H
InChIKey
VSDQFWPJOLXOFT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[1-(4-chlorophenyl)vinyl]-N-(3-pyridylmethyl)amine hydroiodide
CAS: 674284-12-9
CID: 2806951
Formula: C14H14ClIN2
MW: 372.63
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.63
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass371.98902
Monoisotopic Mass371.98902
Topological Polar Surface Area24.9 Ų
Heavy Atom Count18
Formal Charge0
Complexity247
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Related Products

CatalogName
Fr13366-01Compound Fr13366
Fr13666-01Compound Fr13666
Fr13656-01Compound Fr13656
Fr13569-01Compound Fr13569
Fr13560-01Compound Fr13560
Fr13546-01Compound Fr13546
Fr13536-01Compound Fr13536
Fr13516-01Compound Fr13516
Fr13506-01Compound Fr13506
Fr13562-01Compound Fr13562

Alternative Products

CatalogName
ALX-550-516-M025Compound A
A8197-5.1Compound 56
C8444-50Compound C108
C5824-10GPR120 Compound A
B7337-5Compound 401
XXC35825-01Compound 3a
HY-U00358Compound 2
HY-14176-01Compound E
2573-5Compound 112254
1898-1000Compound 34

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