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Chemical structure of 1-Oxyl-2,2,5,5-tetramethylpyrroline-3-carboxylate NHS ester

GC42019

1-Oxyl-2,2,5,5-tetramethylpyrroline-3-carboxylate NHS ester

1-Oxyl-2,2,5,5-tetramethylpyrroline-3-carboxylate NHS ester is an N-hydroxysuccinimide ester of the nitroxide spin label 2,2,5,5-tetramethyl-3-carboxylpyrrolin-1-oxyl, also known as tempyo

ChemicalCAS37558-29-5MW281.3FormulaC13H17N2O5
CAS number
37558-29-5
Molecular weight
281.3
Formula
C13H17N2O5
Solubility
DMF： 10 mg/ml,DMSO： 20 mg/ml,DMSO：PBS (pH 7·2) (1：1)： 0·5 mg/ml,Ethanol： 0·3 mg/ml
InChIKey
IWVOZPVFXICWQH-UHFFFAOYSA-N
Catalogue number
GC42019
Brand
GLPBIO
Computed properties PubChem CID 2735146 · XLogP -0.1 · TPSA 67.9 Ų · H-bond donors 0
XLogP
-0.1
TPSA
67.9 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
20

SMILES CC1(C=C(C(N1[O])(C)C)C(=O)ON2C(=O)CCC2=O)C

Computed descriptors from PubChem (CID 2735146), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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