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AH-25086 free base

CAT: 0931-T29741-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T29741-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
81709-54-8
Target
Others
Related Pathways
Others
Bioactivity
AH-25086 free base is a biochemical which may play a role in migration of breast cancer cells.
Smiles
O=C(NC)CC=1C=CC=2NC=C(C2C1)CCN
Molecular Formula
C13H17N3O
Molecular Weight
231.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

AH-25086 free base
CAS Number81709-54-8
PubChem CID12805205
IUPAC Name2-[3-(2-aminoethyl)-1H-indol-5-yl]-N-methylacetamide
Molecular FormulaC13H17N3O
Molecular Weight231.29
XLogP0.3
Topological Polar Surface Area70.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity269
SMILES
CNC(=O)CC1=CC2=C(C=C1)NC=C2CCN
InChI
InChI=1S/C13H17N3O/c1-15-13(17)7-9-2-3-12-11(6-9)10(4-5-14)8-16-12/h2-3,6,8,16H,4-5,7,14H2,1H3,(H,15,17)
InChIKey
AWBUKJZJLOHYFJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of AH-25086 free base
CAS: 81709-54-8
CID: 12805205
Formula: C13H17N3O
MW: 231.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight231.29
XLogP30.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass231.137162174
Monoisotopic Mass231.137162174
Topological Polar Surface Area70.9 Ų
Heavy Atom Count17
Formal Charge0
Complexity269
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

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