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Boc-NH-PEG12-NH2

CAT: 1410-M26922-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Boc-NH-PEG12-NH2 is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs.
CAS Number
1642551-09-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
688.853
Molecular Formula
C31H64N2O14
Notes
Research use only, not for human use.
Receptor
IL Receptor| JNK| NF-κB

Chemical Information

BocNH-PEG12-CH2CH2NH2
CAS Number1642551-09-4
PubChem CID137346699
IUPAC Nametert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
Molecular FormulaC31H64N2O14
Molecular Weight688.8
XLogP-1.8
Topological Polar Surface Area175
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count15
Rotatable Bond Count40
Heavy Atom Count47
Formal Charge0
Complexity632
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN
InChI
InChI=1S/C31H64N2O14/c1-31(2,3)47-30(34)33-5-7-36-9-11-38-13-15-40-17-19-42-21-23-44-25-27-46-29-28-45-26-24-43-22-20-41-18-16-39-14-12-37-10-8-35-6-4-32/h4-29,32H2,1-3H3,(H,33,34)
InChIKey
USZAQHILQQTIAZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of BocNH-PEG12-CH2CH2NH2
CAS: 1642551-09-4
CID: 137346699
Formula: C31H64N2O14
MW: 688.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight688.8
XLogP3-1.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count15
Rotatable Bond Count40
Exact Mass688.43575472
Monoisotopic Mass688.43575472
Topological Polar Surface Area175 Ų
Heavy Atom Count47
Formal Charge0
Complexity632
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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