ChemSpider 2D Image | 6-Amino-2-({[(2E)-2-benzylidenehydrazino]carbonyl}amino)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-5,8-disulfonic acid | C20H15N5O9S2

6-Amino-2-({[(2E)-2-benzylidenehydrazino]carbonyl}amino)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-5,8-disulfonic acid

  • Molecular FormulaC20H15N5O9S2
  • Average mass533.491 Da
  • Monoisotopic mass533.031128 Da
  • ChemSpider ID7849312

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Benz[de]isoquinoline-5,8-disulfonic acid, 6-amino-2,3-dihydro-1,3-dioxo-2-[[[(2E)-2-(phenylmethylene)hydrazinyl]carbonyl]amino]- [ACD/Index Name]
6-Amino-2-({[(2E)-2-benzylidenehydrazino]carbonyl}amino)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-5,8-disulfonic acid [ACD/IUPAC Name]
6-Amino-2-({[(2E)-2-benzylidenhydrazino]carbonyl}amino)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isochinolin-5,8-disulfonsäure [German] [ACD/IUPAC Name]
Acide 6-amino-2-({[(2E)-2-benzylidènehydrazino]carbonyl}amino)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoléine-5,8-disulfonique [French] [ACD/IUPAC Name]
6-Amino-2-[benzylidenehydrazinocarbonyl]amino]-2,3-dihydro-1,3-dioxo-1H-benz[de]isoquinoline-5,8-disulfonic acid

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

AIDS059182 [DBID]
AIDS-059182 [DBID]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.799
Molar Refractivity: 123.3±0.5 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: -1.35
ACD/LogD (pH 5.5): -6.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 242 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 93.8±7.0 dyne/cm
Molar Volume: 288.7±7.0 cm3

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