ChemSpider 2D Image | 1-Amino-4-({4-methoxy-3-[(2-oxo-1-azepanyl)methyl]phenyl}amino)-9,10-dioxo-9,10-dihydro-2-anthracenesulfonate | C28H26N3O7S

1-Amino-4-({4-methoxy-3-[(2-oxo-1-azepanyl)methyl]phenyl}amino)-9,10-dioxo-9,10-dihydro-2-anthracenesulfonate

  • Molecular FormulaC28H26N3O7S
  • Average mass548.588 Da
  • Monoisotopic mass548.149719 Da
  • ChemSpider ID95775849

  • Charge - Charge

More details:

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

1-Amino-4-({4-methoxy-3-[(2-oxo-1-azepanyl)methyl]phenyl}amino)-9,10-dioxo-9,10-dihydro-2-anthracenesulfonate [ACD/IUPAC Name]
1-Amino-4-({4-méthoxy-3-[(2-oxo-1-azépanyl)méthyl]phényl}amino)-9,10-dioxo-9,10-dihydro-2-anthracènesulfonate [French] [ACD/IUPAC Name]
1-Amino-4-({4-methoxy-3-[(2-oxo-1-azepanyl)methyl]phenyl}amino)-9,10-dioxo-9,10-dihydro-2-anthracensulfonat [German] [ACD/IUPAC Name]
2-Anthracenesulfonic acid, 1-amino-4-[[3-[(hexahydro-2-oxo-1H-azepin-1-yl)methyl]-4-methoxyphenyl]amino]-9,10-dihydro-9,10-dioxo-, ion(1-) [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.72
ACD/LogD (pH 5.5): -1.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 167 Å2
Polarizability:
Surface Tension:
Molar Volume:

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