2,2'-Dihydroxy-5,5'-diacetyldiaminebiphenyl
Basic information
- CAS
98966-14-4- Standard SMILES
CC(=O)Nc1ccc(O)c(-c2cc(NC(C)=O)ccc2O)c1- InChIKey
PHJCCQZHFLRCAA-UHFFFAOYSA-N- Molecular formula
- C16H16N2O4
- Average molar mass
- 300.31 g/mol
- Monoisotopic mass
- 300.111007
Overview
a fluorophore; structure given in first source
Names & identifiers
- Preferred name
- 2,2'-Dihydroxy-5,5'-diacetyldiaminebiphenyl
- IUPAC
- N-[3-(5-acetamido-2-hydroxyphenyl)-4-hydroxyphenyl]acetamide
- English name
- 2,2'-dihydroxy-5,5'-diacetyldiaminebiphenyl
- Molecular formula
- C16H16N2O4
- Molecular weight
- 300.31
Names & synonyms
98966-14-4DiOH-diAcNH-biphenylAcetamide, N,N'-(6,6'-dihydroxy[1,1'-biphenyl]-3,3'-diyl)bis-2,2'-Dihydroxy-5,5'-diacetyldiaminebiphenylDTXSID10243885Acetamide, N,N'-(6,6'-dihydroxy(1,1'-biphenyl)-3,3'-diyl)bis-N,N'-(6,6'-Dihydroxy(1,1'-biphenyl)-3,3'-diyl)bisacetamideRefChem:908489DTXCID40166376Acetaminophen Dimern,n'-(6,6'-dihydroxybiphenyl-3,3'-diyl)diacetamideN,N'-(6,6'-Dihydroxy-[1,1'-biphenyl]-3,3'-diyl)diacetamide
Show more names
Paracetamol DimerFurosemide Impurity25Acetaminophen Impurity 15ParacetaMol DiMer IMpurity5,5'-diacetamino-2,2'-biphenolParacetamol Dimer / Acetaminophen DimerAcetaminophen Dimer (Paracetamol Dimer)PARACETAMOL DIMER OR ACETAMINOPHEN DIMER
N-[3-(5-acetamido-2-hydroxyphenyl)-4-hydroxyphenyl]acetamide3UMW7AU2LDN,N'-(6,6'-Dihydroxy[1,1'-biphenyl]-3,3'-diyl)bis[acetamide]N,N'-(6,6'-DIHYDROXY(1,1'-BIPHENYL)-3,3'-DIYL)BIS(ACETAMIDE)UNII-3UMW7AU2LDAcetaminophen Impurity 25SCHEMBL16504459MFCD16621165
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 377
Physicochemical properties
- Melting point
- 148 oC · >148oC (dec.)
- Boiling point
- 642.2 · 642.2±55.0 °C(Predicted)
- Density
- 1.379 · 1.379±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 8.96 · 8.96±0.43(Predicted)
- color
- White to Brown
- FDA UNII
- 3 UMW7AU2LD · 3UMW7AU2LD
Chemistry & industry
Applications
UsesAcetaminophen Dimer is an oxidatively couple dimer of Acetaminaphen (A161220). Acetaminophen Dimer along with other p-acetamidophenol analogs were used to determine peroxidase activities.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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