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Amino-PEG9-alcohol

CAT: 1410-M26888-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Amino-PEG9-alcohol is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs.
CAS Number
15332-95-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
413.508
Molecular Formula
C18H39NO9
Notes
Research use only, not for human use.
Receptor
HDAC11

Chemical Information

Amino-PEG9-alcohol
CAS Number15332-95-3
PubChem CID126961855
IUPAC Name2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Molecular FormulaC18H39NO9
Molecular Weight413.5
XLogP-2.6
Topological Polar Surface Area120
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count25
Heavy Atom Count28
Formal Charge0
Complexity275
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCO)N
InChI
InChI=1S/C18H39NO9/c19-1-3-21-5-7-23-9-11-25-13-15-27-17-18-28-16-14-26-12-10-24-8-6-22-4-2-20/h20H,1-19H2
InChIKey
DCAJVIFECZEOHP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Amino-PEG9-alcohol
CAS: 15332-95-3
CID: 126961855
Formula: C18H39NO9
MW: 413.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight413.5
XLogP3-2.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count25
Exact Mass413.26248182
Monoisotopic Mass413.26248182
Topological Polar Surface Area120 Ų
Heavy Atom Count28
Formal Charge0
Complexity275
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