ChemSpider 2D Image | 2-[(4-Amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]benzoic acid | C21H14N2O7S

2-[(4-Amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]benzoic acid

  • Molecular FormulaC21H14N2O7S
  • Average mass438.410 Da
  • Monoisotopic mass438.052185 Da
  • ChemSpider ID23349494

More details:

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

128-82-5 [RN]
2-[(4-Amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]benzoic acid
2-[(4-Amino-9,10-dioxo-3-sulfo-9,10-dihydro-1-anthracenyl)amino]benzoesäure [German] [ACD/IUPAC Name]
2-[(4-Amino-9,10-dioxo-3-sulfo-9,10-dihydro-1-anthracenyl)amino]benzoic acid [ACD/IUPAC Name]
2-[(4-Amino-9,10-dioxo-3-sulfo-9,10-dihydroanthracen-1-yl)amino]benzoic acid
Acide 2-[(4-amino-9,10-dioxo-3-sulfo-9,10-dihydro-1-anthracényl)amino]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.754
Molar Refractivity: 107.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.06
ACD/LogD (pH 5.5): -1.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 172 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 94.2±3.0 dyne/cm
Molar Volume: 262.7±3.0 cm3

Click to predict properties on the Chemicalize site


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