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AD-1491

CAT: 0931-T29636-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T29636-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
76302-29-9
Target
Others
Related Pathways
Others
Bioactivity
AD-1491 is a bioactive chemical.
Smiles
O=C(O)C(C1=CC=C(C=C1)NC2=NC=CC=C2)C
Molecular Formula
C14H14N2O2
Molecular Weight
242.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

AD-1491
CAS Number76302-29-9
PubChem CID3059294
IUPAC Name2-[4-(pyridin-2-ylamino)phenyl]propanoic acid
Molecular FormulaC14H14N2O2
Molecular Weight242.27
XLogP2.8
Topological Polar Surface Area62.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity275
SMILES
CC(C1=CC=C(C=C1)NC2=CC=CC=N2)C(=O)O
InChI
InChI=1S/C14H14N2O2/c1-10(14(17)18)11-5-7-12(8-6-11)16-13-4-2-3-9-15-13/h2-10H,1H3,(H,15,16)(H,17,18)
InChIKey
AHBKHOGVLKUYAT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of AD-1491
CAS: 76302-29-9
CID: 3059294
Formula: C14H14N2O2
MW: 242.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight242.27
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass242.105527694
Monoisotopic Mass242.105527694
Topological Polar Surface Area62.2 Ų
Heavy Atom Count18
Formal Charge0
Complexity275
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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