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Compound Fr13352

CAT: 0931-Fr13352-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr13352-01Size:200 mg
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CAS Number
906352-71-4
Bioactivity
Compound Fr13352, with CAS No. 906352-71-4, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13352 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
CNCC1=C(OC2CCOCC2)C=CC=C1
Molecular Formula
C13H19NO2
Molecular Weight
221.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-methyl-2-(tetrahydropyran-4-yloxy)benzylamine
CAS Number906352-71-4
PubChem CID24229518
IUPAC NameN-methyl-1-[2-(oxan-4-yloxy)phenyl]methanamine
Molecular FormulaC13H19NO2
Molecular Weight221.29
XLogP1.7
Topological Polar Surface Area30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity192
SMILES
CNCC1=CC=CC=C1OC2CCOCC2
InChI
InChI=1S/C13H19NO2/c1-14-10-11-4-2-3-5-13(11)16-12-6-8-15-9-7-12/h2-5,12,14H,6-10H2,1H3
InChIKey
ZTMRIJRRCHAUNA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-methyl-2-(tetrahydropyran-4-yloxy)benzylamine
CAS: 906352-71-4
CID: 24229518
Formula: C13H19NO2
MW: 221.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight221.29
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass221.141578849
Monoisotopic Mass221.141578849
Topological Polar Surface Area30.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity192
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
Fr14352-01Compound Fr14352
Fr13652-01Compound Fr13652
Fr13325-01Compound Fr13325
Fr13372-01Compound Fr13372
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Fr13302-01Compound Fr13302
Fr13752-01Compound Fr13752
Fr13952-01Compound Fr13952
Fr13359-01Compound Fr13359
Fr13358-01Compound Fr13358

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HY-U00358Compound 2
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HY-14176-01Compound E
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