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Ald-Ph-amido-C2-PEG2-amine

CAT: 0931-T14162-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T14162-01Size:100 mg
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CAS Number
2055013-56-2
Target
PROTAC Linker, Others
Related Pathways
PROTAC, Others
Bioactivity
Ald-Ph-amido-C2-PEG2-amine is a polyethylene glycol (PEG) -based linker used in the synthesis of PROteolysis TArgeting Chimeras (PROTACs) [1].
Smiles
O=CC1=CC=C(C=C1)C(=O)NCCOCCOCCN
Molecular Formula
C14H20N2O4
Molecular Weight
280.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ald-Ph-PEG2-amine TFA salt
CAS Number2055013-56-2
PubChem CID86276387
IUPAC NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-formylbenzamide
Molecular FormulaC14H20N2O4
Molecular Weight280.32
XLogP-0.6
Topological Polar Surface Area90.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count20
Formal Charge0
Complexity278
SMILES
C1=CC(=CC=C1C=O)C(=O)NCCOCCOCCN
InChI
InChI=1S/C14H20N2O4/c15-5-7-19-9-10-20-8-6-16-14(18)13-3-1-12(11-17)2-4-13/h1-4,11H,5-10,15H2,(H,16,18)
InChIKey
MAVIFAPOMVRMJK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ald-Ph-PEG2-amine TFA salt
CAS: 2055013-56-2
CID: 86276387
Formula: C14H20N2O4
MW: 280.32
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight280.32
XLogP3-0.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass280.14230712
Monoisotopic Mass280.14230712
Topological Polar Surface Area90.7 Ų
Heavy Atom Count20
Formal Charge0
Complexity278
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