ChemSpider 2D Image | 2-[(E)-2-(4,4-Diamino-2-sulfo-1,5-cyclohexadien-1-yl)vinyl]benzenesulfonic acid | C14H16N2O6S2

2-[(E)-2-(4,4-Diamino-2-sulfo-1,5-cyclohexadien-1-yl)vinyl]benzenesulfonic acid

  • Molecular FormulaC14H16N2O6S2
  • Average mass372.417 Da
  • Monoisotopic mass372.044983 Da
  • ChemSpider ID30688112

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(E)-2-(4,4-Diamino-2-sulfo-1,5-cyclohexadien-1-yl)vinyl]benzenesulfonic acid [ACD/IUPAC Name]
2-[(E)-2-(4,4-Diamino-2-sulfo-1,5-cyclohexadien-1-yl)vinyl]benzolsulfonsäure [German] [ACD/IUPAC Name]
Acide 2-[(E)-2-(4,4-diamino-2-sulfo-1,5-cyclohexadién-1-yl)vinyl]benzènesulfonique [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 2-[(E)-2-(4,4-diamino-2-sulfo-1,5-cyclohexadien-1-yl)ethenyl]- [ACD/Index Name]
4,4-diaminostilbene-2,2'-disulfonic acid

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: 1.728
Molar Refractivity: 89.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.57
ACD/LogD (pH 5.5): -5.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 178 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 95.0±5.0 dyne/cm
Molar Volume: 223.4±5.0 cm3

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