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DBCO-PEG3-amine

CAT: 1266-JH917389Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH917389Size:1 Each
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CAS Number
2093409-57-3
Molecular Formula
C27H33N3O5
Molecular Weight
479.58

Chemical Information

N-(2-(2-(2-(2-Aminoethoxy)ethoxy)ethoxy)ethyl)-11,12-didehydro-gamma-oxodibenz(b,f)azocine-5(6H)-butanamide
CAS Number2093409-57-3
PubChem CID132185827
IUPAC NameN-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanamide
Molecular FormulaC27H33N3O5
Molecular Weight479.6
XLogP0.7
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Heavy Atom Count35
Formal Charge0
Complexity718
SMILES
C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCOCCOCCOCCN
InChI
InChI=1S/C27H33N3O5/c28-13-15-33-17-19-35-20-18-34-16-14-29-26(31)11-12-27(32)30-21-24-7-2-1-5-22(24)9-10-23-6-3-4-8-25(23)30/h1-8H,11-21,28H2,(H,29,31)
InChIKey
ZDMKBOWJBWTBIN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-(2-(2-(2-Aminoethoxy)ethoxy)ethoxy)ethyl)-11,12-didehydro-gamma-oxodibenz(b,f)azocine-5(6H)-butanamide
CAS: 2093409-57-3
CID: 132185827
Formula: C27H33N3O5
MW: 479.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight479.6
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Exact Mass479.24202116
Monoisotopic Mass479.24202116
Topological Polar Surface Area103 Ų
Heavy Atom Count35
Formal Charge0
Complexity718
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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