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Compound Fr12575

CAT: 0013-GTR19269817-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269817-01Size:1 mg
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Description
Compound Fr12575, with CAS No. 857284-27-6, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr12575 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
857284-27-6
Smiles
CNCc1cccc (c1) -c1ccco1
Molecular Formula
C12H13NO
Molecular Weight
187.24
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[3-(2-Furyl)benzyl]-N-methylamine
CAS Number857284-27-6
PubChem CID18525790
IUPAC Name1-[3-(furan-2-yl)phenyl]-N-methylmethanamine
Molecular FormulaC12H13NO
Molecular Weight187.24
XLogP2
Topological Polar Surface Area25.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity172
SMILES
CNCC1=CC(=CC=C1)C2=CC=CO2
InChI
InChI=1S/C12H13NO/c1-13-9-10-4-2-5-11(8-10)12-6-3-7-14-12/h2-8,13H,9H2,1H3
InChIKey
WMCXJYGZLCREMM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[3-(2-Furyl)benzyl]-N-methylamine
CAS: 857284-27-6
CID: 18525790
Formula: C12H13NO
MW: 187.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight187.24
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass187.099714038
Monoisotopic Mass187.099714038
Topological Polar Surface Area25.2 Ų
Heavy Atom Count14
Formal Charge0
Complexity172
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
GTR19269836-01Compound Fr12755
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GTR19269796-01Compound Fr12378
GTR19269774-01Compound Fr12176
GTR19269773-01Compound Fr12173
GTR19269952Compound Fr13675
GTR19269839-01Compound Fr12765
GTR19269834-01Compound Fr12754

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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