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M-PEG2-amido-Ph-NH2

CAT: 0013-GTR19262999-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19262999-01Size:50 mg
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Description
M-PEG2-amido-Ph-NH2 is a PROTAC linker belonging to the PEG class, useful for the synthesis of PROTAC molecules.
CAS Number
1284417-66-8
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
O=C (NCCOCCOC) C1=CC=C (N) C=C1
Molecular Formula
C12H18N2O3
Molecular Weight
238.28
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

m-PEG2-amido-Ph-NH2
CAS Number1284417-66-8
PubChem CID61821021
IUPAC Name4-amino-N-[2-(2-methoxyethoxy)ethyl]benzamide
Molecular FormulaC12H18N2O3
Molecular Weight238.28
XLogP-0.2
Topological Polar Surface Area73.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count17
Formal Charge0
Complexity216
SMILES
COCCOCCNC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C12H18N2O3/c1-16-8-9-17-7-6-14-12(15)10-2-4-11(13)5-3-10/h2-5H,6-9,13H2,1H3,(H,14,15)
InChIKey
YPJRRVTWOKJFMT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of m-PEG2-amido-Ph-NH2
CAS: 1284417-66-8
CID: 61821021
Formula: C12H18N2O3
MW: 238.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight238.28
XLogP3-0.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass238.13174244
Monoisotopic Mass238.13174244
Topological Polar Surface Area73.6 Ų
Heavy Atom Count17
Formal Charge0
Complexity216
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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