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Benzyl-PEG3-amine

CAT: 0804-HY-W190795-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W190795-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Benzyl-PEG3-amine is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
86770-75-4
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
PROTAC Linkers
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/benzyl-peg3-amine.html
Solubility
10 mM in DMSO
Smiles
NCCOCCOCCOCC1=CC=CC=C1
Molecular Formula
C13H21NO3
Molecular Weight
239.31
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
References & Citations
[1]Nalawansha DA, et al. PROTACs: An Emerging Therapeutic Modality in Precision Medicine. Cell Chem Biol. 2020;27 (8) :998-985.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PEG Linkers

Chemical Information

2-(Benzyloxyethoxyethoxy)ethylamine
CAS Number86770-75-4
PubChem CID57884380
IUPAC Name2-[2-(2-phenylmethoxyethoxy)ethoxy]ethanamine
Molecular FormulaC13H21NO3
Molecular Weight239.31
XLogP0.3
Topological Polar Surface Area53.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count17
Formal Charge0
Complexity161
SMILES
C1=CC=C(C=C1)COCCOCCOCCN
InChI
InChI=1S/C13H21NO3/c14-6-7-15-8-9-16-10-11-17-12-13-4-2-1-3-5-13/h1-5H,6-12,14H2
InChIKey
ZQZPJPHAPLBNCN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Benzyloxyethoxyethoxy)ethylamine
CAS: 86770-75-4
CID: 57884380
Formula: C13H21NO3
MW: 239.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight239.31
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass239.15214353
Monoisotopic Mass239.15214353
Topological Polar Surface Area53.7 Ų
Heavy Atom Count17
Formal Charge0
Complexity161
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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