ChemSpider 2D Image | 4-[3,6-Bis(diethylamino)-9H-xanthen-9-yl]-1,3-benzenedisulfonic acid | C27H32N2O7S2

4-[3,6-Bis(diethylamino)-9H-xanthen-9-yl]-1,3-benzenedisulfonic acid

  • Molecular FormulaC27H32N2O7S2
  • Average mass560.682 Da
  • Monoisotopic mass560.165100 Da
  • ChemSpider ID2287673

More details:

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

1,3-Benzenedisulfonic acid, 4-[3,6-bis(diethylamino)-9H-xanthen-9-yl]- [ACD/Index Name]
288-235-7 [EINECS]
4-[3,6-Bis(diethylamino)-9H-xanthen-9-yl]-1,3-benzenedisulfonic acid [ACD/IUPAC Name]
4-[3,6-Bis(diethylamino)-9H-xanthen-9-yl]-1,3-benzoldisulfonsäure [German] [ACD/IUPAC Name]
85681-99-8 [RN]
Acide 4-[3,6-bis(diéthylamino)-9H-xanthén-9-yl]-1,3-benzènedisulfonique [French] [ACD/IUPAC Name]
4-(3,6-Bis(diethylamino)-9H-xanthen-9-yl)benzene-1,3-disulfonic acid
4-(3,6-Bis(diethylamino)-9H-xanthen-9-yl)benzene-1,3-disulphonic acid
4-[3,6-Bis(diethylamino)-9H-xanthen-9-yl]benzene-1,3-disulfonic acid
4-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzene-1,3-disulphonic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.633
Molar Refractivity: 146.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.19
ACD/LogD (pH 5.5): 0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.47
ACD/LogD (pH 7.4): -1.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 141 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 59.6±3.0 dyne/cm
Molar Volume: 408.9±3.0 cm3

Click to predict properties on the Chemicalize site


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