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DBCO-PEG4-amine

CAT: 0127-BIPG2008-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-BIPG2008-02Size:50 mg
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CAS Number
1840886-10-3
Purity
98%
Smiles
C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C (=O) CCC (=O) NCCOCCOCCOCCOCCN

Chemical Information

DBCO-PEG4-amine
CAS Number1840886-10-3
PubChem CID77078150
IUPAC NameN-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]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 FormulaC29H37N3O6
Molecular Weight523.6
XLogP0.5
Topological Polar Surface Area112
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count17
Heavy Atom Count38
Formal Charge0
Complexity766
SMILES
C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCOCCOCCOCCOCCN
InChI
InChI=1S/C29H37N3O6/c30-13-15-35-17-19-37-21-22-38-20-18-36-16-14-31-28(33)11-12-29(34)32-23-26-7-2-1-5-24(26)9-10-25-6-3-4-8-27(25)32/h1-8H,11-23,30H2,(H,31,33)
InChIKey
NFJQULPXXATMFO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DBCO-PEG4-amine
CAS: 1840886-10-3
CID: 77078150
Formula: C29H37N3O6
MW: 523.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight523.6
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count17
Exact Mass523.26823591
Monoisotopic Mass523.26823591
Topological Polar Surface Area112 Ų
Heavy Atom Count38
Formal Charge0
Complexity766
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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