ChemSpider 2D Image | Pacein | C28H24N2O7

Pacein

  • Molecular FormulaC28H24N2O7
  • Average mass500.499 Da
  • Monoisotopic mass500.158356 Da
  • ChemSpider ID4533218

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2,8-bis(2,4-dihydroxy-6-methylanilino)-1,9-dimethyldibenzo[b,d]furan-3,7-dione
2,8-Bis[(2,4-dihydroxy-6-methylphenyl)amino]-1,9-dimethyldibenzo[b,d]furan-3,7-dion [German] [ACD/IUPAC Name]
2,8-Bis[(2,4-dihydroxy-6-methylphenyl)amino]-1,9-dimethyldibenzo[b,d]furan-3,7-dione [ACD/IUPAC Name]
2,8-Bis[(2,4-dihydroxy-6-méthylphényl)amino]-1,9-diméthyldibenzo[b,d]furane-3,7-dione [French] [ACD/IUPAC Name]
3,7-Dibenzofurandione, 2,8-bis[(2,4-dihydroxy-6-methylphenyl)amino]-1,9-dimethyl- [ACD/Index Name]
Pacein
14005-14-2 [RN]
1400-62-0 [RN]
2,2-Dimethyl-1,3-benzodioxole [ACD/IUPAC Name]
2,8-Bis(2,4-dihydroxy-6-methylanilino)-1,9-dimethyldibenzofuran-3,7-dione
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS013338 [DBID]
AIDS-013338 [DBID]
NCGC00014927 [DBID]
NCI60_004804 [DBID]
NCIStruc1_000110 [DBID]
NCIStruc2_001941 [DBID]
NSC 610930 [DBID]
NSC610930 [DBID]
NSC-610930 [DBID]
ZINC01611596 [DBID]
  • Miscellaneous

    • Safety:

      22 Alfa Aesar B20294
      36-60 Alfa Aesar B20294
      CAUTION: May irritate eyes, skin, and respiratory tract Alfa Aesar B20294

    • Chemical Class:

      A member of the class of benzofurans that is dibenzo[<ital>b,d</ital>]furan-3,7-dione bearing two methyl substituents at positions 1 and 9 as well as two 2,4-dihydroxy-6-methylanilino substituents at positions 2 and 8. ChEBI CHEBI:90290
      A member of the class of benzofurans that is dibenzo[b,d]furan-3,7-dione bearing two methyl substituents at positions 1 and 9 as well as two 2,4-dihydroxy-6-methylanilino substituents at ; positions 2 and 8. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:90290
      A member of the class of benzofurans that is dibenzo[b,d]furan-3,7-dione bearing two methyl substituents at positions 1 and 9 as well as two 2,4-dihydroxy-6-methylanilino substituents at positions 2 a nd 8. ChEBI CHEBI:90290

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 779.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.3±3.0 kJ/mol
Flash Point: 424.9±32.9 °C
Index of Refraction: 1.764
Molar Refractivity: 132.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 1.16
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 11.67
ACD/KOC (pH 5.5): 202.03
ACD/LogD (pH 7.4): 1.70
ACD/BCF (pH 7.4): 11.49
ACD/KOC (pH 7.4): 198.97
Polar Surface Area: 148 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 88.2±5.0 dyne/cm
Molar Volume: 320.7±5.0 cm3

Click to predict properties on the Chemicalize site


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