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Compound Fr13232

CAT: 0013-GTR19269897-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269897-01Size:5 mg
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Description
Compound Fr13232, with CAS No. 219866-00-9, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13232 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
219866-00-9
Smiles
Cc1cccc (Oc2ccc (N) cn2) c1C
Molecular Formula
C13H14N2O
Molecular Weight
214.2631
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-(2,3-Dimethylphenoxy)pyridin-3-amine
CAS Number219866-00-9
PubChem CID2800167
IUPAC Name6-(2,3-dimethylphenoxy)pyridin-3-amine
Molecular FormulaC13H14N2O
Molecular Weight214.26
XLogP2.8
Topological Polar Surface Area48.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity222
SMILES
CC1=C(C(=CC=C1)OC2=NC=C(C=C2)N)C
InChI
InChI=1S/C13H14N2O/c1-9-4-3-5-12(10(9)2)16-13-7-6-11(14)8-15-13/h3-8H,14H2,1-2H3
InChIKey
XINLHLGITRDWJY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(2,3-Dimethylphenoxy)pyridin-3-amine
CAS: 219866-00-9
CID: 2800167
Formula: C13H14N2O
MW: 214.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight214.26
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass214.110613074
Monoisotopic Mass214.110613074
Topological Polar Surface Area48.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity222
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
GTR19269910-01Compound Fr13322
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GTR19269906-01Compound Fr13290
GTR19269901-01Compound Fr13281
GTR19269900-01Compound Fr13279
GTR19269894-01Compound Fr13218
GTR19269893-01Compound Fr13217
GTR19269870-01Compound Fr13037
GTR19269899-01Compound Fr13277

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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