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Tri (Amino-PEG4-amide) -amine

CAT: 0127-OR1006781Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
2523025-41-2
Purity
95%
Smiles
NCCOCCOCCOCCOCCC(NCCN(CCNC(CCOCCOCCOCCOCCN)=O)CCNC(CCOCCOCCOCCOCCN)=O)=O

Chemical Information

Tri(Amino-PEG4-amide)-amine
CAS Number2523025-41-2
PubChem CID86276365
IUPAC Name3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[2-[bis[2-[3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]amino]ethyl]propanamide
Molecular FormulaC39H81N7O15
Molecular Weight888.1
XLogP-6.6
Topological Polar Surface Area279
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count19
Rotatable Bond Count51
Heavy Atom Count61
Formal Charge0
Complexity840
SMILES
C(COCCOCCOCCOCCN)C(=O)NCCN(CCNC(=O)CCOCCOCCOCCOCCN)CCNC(=O)CCOCCOCCOCCOCCN
InChI
InChI=1S/C39H81N7O15/c40-4-16-53-22-28-59-34-31-56-25-19-50-13-1-37(47)43-7-10-46(11-8-44-38(48)2-14-51-20-26-57-32-35-60-29-23-54-17-5-41)12-9-45-39(49)3-15-52-21-27-58-33-36-61-30-24-55-18-6-42/h1-36,40-42H2,(H,43,47)(H,44,48)(H,45,49)
InChIKey
YGEMWQLDBQAVBU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tri(Amino-PEG4-amide)-amine
CAS: 2523025-41-2
CID: 86276365
Formula: C39H81N7O15
MW: 888.1
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight888.1
XLogP3-6.6
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count19
Rotatable Bond Count51
Exact Mass887.57906490
Monoisotopic Mass887.57906490
Topological Polar Surface Area279 Ų
Heavy Atom Count61
Formal Charge0
Complexity840
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