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Azidoacetic acid NHS ester

CAT: 0013-GTR19155479-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19155479-01Size:100 mg
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Description
Azidoacetic acid NHS ester is a compound containing an azide group and an NHS ester. The azide group can react with alkyne, BCN, DBCO via Click Chemistry to yield a stable triazole linkage. The NHS ester can be used to label the primary amines (-NH2) of proteins, amine-modified oligonucleotides, and other amine-containing molecules.
CAS Number
824426-32-6
Purity
>95%
Smiles
O=C (ON1C (CCC1=O) =O) CN=[N+]=[N-]
Molecular Formula
C6H6N4O4
Molecular Weight
198.14
Notes
For research use only.

Chemical Information

2,5-Dioxopyrrolidin-1-yl 2-azidoacetate
CAS Number824426-32-6
PubChem CID59248176
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-azidoacetate
Molecular FormulaC6H6N4O4
Molecular Weight198.14
XLogP0.3
Topological Polar Surface Area78
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity317
SMILES
C1CC(=O)N(C1=O)OC(=O)CN=[N+]=[N-]
InChI
InChI=1S/C6H6N4O4/c7-9-8-3-6(13)14-10-4(11)1-2-5(10)12/h1-3H2
InChIKey
FENNDBOWHRZLTQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,5-Dioxopyrrolidin-1-yl 2-azidoacetate
CAS: 824426-32-6
CID: 59248176
Formula: C6H6N4O4
MW: 198.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight198.14
XLogP30.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass198.03890469
Monoisotopic Mass198.03890469
Topological Polar Surface Area78 Ų
Heavy Atom Count14
Formal Charge0
Complexity317
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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