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Benzyl-PEG2-amine

CAT: 0804-HY-140742-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-140742-01Size:100 mg
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Description
Benzyl-PEG2-amine is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
1268135-96-1
UNSPSC
12352005
Hazard Statement
H314
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-peg2-amine.html
Purity
97.74
Solubility
10 mM in DMSO
Smiles
NCCOCCOCC1=CC=CC=C1
Molecular Formula
C11H17NO2
Molecular Weight
195.26
Precautions
H314
References & Citations
[1]An S, et al. Small-molecule PROTACs: An emerging and promising approach for the development of targeted therapy drugs. EBioMedicine. 2018 Oct;36:553-562
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PEG Linkers

Chemical Information

Benzyl-PEG2-amine
CAS Number1268135-96-1
PubChem CID51354656
IUPAC Name2-(2-phenylmethoxyethoxy)ethanamine
Molecular FormulaC11H17NO2
Molecular Weight195.26
XLogP0.5
Topological Polar Surface Area44.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count14
Formal Charge0
Complexity124
SMILES
C1=CC=C(C=C1)COCCOCCN
InChI
InChI=1S/C11H17NO2/c12-6-7-13-8-9-14-10-11-4-2-1-3-5-11/h1-5H,6-10,12H2
InChIKey
SQXOAFKQZRVRTF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzyl-PEG2-amine
CAS: 1268135-96-1
CID: 51354656
Formula: C11H17NO2
MW: 195.26
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight195.26
XLogP30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass195.125928785
Monoisotopic Mass195.125928785
Topological Polar Surface Area44.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity124
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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