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Tri (Amino-PEG3-amide) -amine

CAT: 0127-OR1005471Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
2523025-40-1
Purity
98%
Smiles
O=C(CCOCCOCCOCCN)NCCN(CCNC(CCOCCOCCOCCN)=O)CCNC(CCOCCOCCOCCN)=O

Chemical Information

Tri(Amino-PEG3-amide)-amine
CAS Number2523025-40-1
PubChem CID86276366
IUPAC Name3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-[2-[bis[2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]ethyl]amino]ethyl]propanamide
Molecular FormulaC33H69N7O12
Molecular Weight755.9
XLogP-6.1
Topological Polar Surface Area252
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count16
Rotatable Bond Count42
Heavy Atom Count52
Formal Charge0
Complexity709
SMILES
C(COCCOCCOCCN)C(=O)NCCN(CCNC(=O)CCOCCOCCOCCN)CCNC(=O)CCOCCOCCOCCN
InChI
InChI=1S/C33H69N7O12/c34-4-16-47-22-28-50-25-19-44-13-1-31(41)37-7-10-40(11-8-38-32(42)2-14-45-20-26-51-29-23-48-17-5-35)12-9-39-33(43)3-15-46-21-27-52-30-24-49-18-6-36/h1-30,34-36H2,(H,37,41)(H,38,42)(H,39,43)
InChIKey
IQSJMACFJXJKGK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tri(Amino-PEG3-amide)-amine
CAS: 2523025-40-1
CID: 86276366
Formula: C33H69N7O12
MW: 755.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight755.9
XLogP3-6.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count16
Rotatable Bond Count42
Exact Mass755.50042066
Monoisotopic Mass755.50042066
Topological Polar Surface Area252 Ų
Heavy Atom Count52
Formal Charge0
Complexity709
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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