ChemSpider 2D Image | ZnAF-1 | C34H28N4O5

ZnAF-1

  • Molecular FormulaC34H28N4O5
  • Average mass572.610 Da
  • Monoisotopic mass572.205994 Da
  • ChemSpider ID8456992

More details:

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

321859-09-0 [RN]
5-({2-[Bis(2-pyridinylmethyl)amino]ethyl}amino)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoesäure [German] [ACD/IUPAC Name]
5-({2-[Bis(2-pyridinylmethyl)amino]ethyl}amino)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid [ACD/IUPAC Name]
5-{2-[Bis(2-pyridylmethyl)amino]ethylamino}fluorescein
Acide 5-({2-[bis(2-pyridinylméthyl)amino]éthyl}amino)-2-(6-hydroxy-3-oxo-3H-xanthén-9-yl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 5-[[2-[bis(2-pyridinylmethyl)amino]ethyl]amino]-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)- [ACD/Index Name]
MFCD08277016
ZnAF-1
5-({2-[BIS(PYRIDIN-2-YLMETHYL)AMINO]ETHYL}AMINO)-2-(3-HYDROXY-6-OXOXANTHEN-9-YL)BENZOIC ACID
5-[(2-{BIS[(PYRIDIN-2-YL)METHYL]AMINO}ETHYL)AMINO]-2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)BENZOIC ACID
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

76663_FLUKA [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 844.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.5±3.0 kJ/mol
Flash Point: 464.3±34.3 °C
Index of Refraction: 1.737
Molar Refractivity: 159.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 70.57
ACD/KOC (pH 5.5): 299.24
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 2.92
ACD/KOC (pH 7.4): 12.38
Polar Surface Area: 125 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 84.2±5.0 dyne/cm
Molar Volume: 396.7±5.0 cm3

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