DBCO-PEG2-amine

CAT: 0127-BIPG2014-02Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BIPG2014-02Size:100 mg

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CAS Number

2250216-96-5

Purity

98%

Smiles

C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C (=O) CCC (=O) NCCOCCOCCN

Chemical Information

DBCO-PEG2-amine

CAS Number	2250216-96-5
PubChem CID	134827742
IUPAC Name	N-[2-[2-(2-aminoethoxy)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 Formula	C25H29N3O4
Molecular Weight	435.5
XLogP	0.8
Topological Polar Surface Area	93.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	11
Heavy Atom Count	32
Formal Charge	0
Complexity	671

SMILES

C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCOCCOCCN

InChI

InChI=1S/C25H29N3O4/c26-13-15-31-17-18-32-16-14-27-24(29)11-12-25(30)28-19-22-7-2-1-5-20(22)9-10-21-6-3-4-8-23(21)28/h1-8H,11-19,26H2,(H,27,29)

InChIKey

ILEXOUGGKQHBOX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2250216-96-5

CID: 134827742

Formula: C25H29N3O4

MW: 435.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	435.5
XLogP3	0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	11
Exact Mass	435.21580641
Monoisotopic Mass	435.21580641
Topological Polar Surface Area	93.9 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	671
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes