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Compound Fr13237

CAT: 0931-Fr13237-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr13237-02Size:2 mg
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CAS Number
892501-90-5
Bioactivity
Compound Fr13237, with CAS No. 892501-90-5, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13237 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
CNCc1ccc(Oc2ccccn2)cc1
Molecular Formula
C13H14N2O
Molecular Weight
214.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-methyl-N-[4-(pyridin-2-yloxy)benzyl]amine
CAS Number892501-90-5
PubChem CID18525833
IUPAC NameN-methyl-1-(4-pyridin-2-yloxyphenyl)methanamine
Molecular FormulaC13H14N2O
Molecular Weight214.26
XLogP1.8
Topological Polar Surface Area34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity190
SMILES
CNCC1=CC=C(C=C1)OC2=CC=CC=N2
InChI
InChI=1S/C13H14N2O/c1-14-10-11-5-7-12(8-6-11)16-13-4-2-3-9-15-13/h2-9,14H,10H2,1H3
InChIKey
AFHNQZMRTDPSDR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-methyl-N-[4-(pyridin-2-yloxy)benzyl]amine
CAS: 892501-90-5
CID: 18525833
Formula: C13H14N2O
MW: 214.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight214.26
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass214.110613074
Monoisotopic Mass214.110613074
Topological Polar Surface Area34.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity190
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

Related Products

CatalogName
Fr13230-01Compound Fr13230
Fr14237-01Compound Fr14237
Fr13233-01Compound Fr13233
Fr13207-01Compound Fr13207
Fr13247-01Compound Fr13247
Fr13267-01Compound Fr13267
Fr13637-01Compound Fr13637
Fr13257-01Compound Fr13257
Fr13239-01Compound Fr13239
Fr13537-01Compound Fr13537

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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