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Chemical structure of IPPD-Q

GC91672

IPPD-Q

Also known as 2-anilino-5-(propan-2-ylamino)cyclohexa-2,5-diene-1,4-dione

IPPD-Q is the oxidation products of N,N'-Substituted p-phenylenediamines (PPD), with oxidative potential values of 0·93μM min-1μM-1for dithiothreitol (DTT) consumption rate

ChemicalCAS68054-73-9MW256.3FormulaC15H16N2O2
CAS number
68054-73-9
Molecular weight
256.3
Formula
C15H16N2O2
Solubility
Acetonitrile: Slightly soluble: 0·1–1 mg/ml,DMSO: Sparingly soluble: 1– 10 mg/ml
InChIKey
ZQAFKGDWLSVTRI-UHFFFAOYSA-N
Catalogue number
GC91672
Brand
GLPBIO
Computed properties PubChem CID 12413088 · XLogP 2.8 · TPSA 58.2 Ų · H-bond donors 2
XLogP
2.8
TPSA
58.2 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
19

SMILES CC(C)NC1=CC(=O)C(=CC1=O)NC2=CC=CC=C2

Computed descriptors from PubChem (CID 12413088), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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