ChemSpider 2D Image | Thyroxamine | C14H11I4NO2

Thyroxamine

  • Molecular FormulaC14H11I4NO2
  • Average mass732.860 Da
  • Monoisotopic mass732.696838 Da
  • ChemSpider ID2338349

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

3571-49-1 [RN]
4-[4-(2-Aminoethyl)-2,6-diiodophenoxy]-2,6-diiodophenol [ACD/IUPAC Name]
4-[4-(2-Aminoéthyl)-2,6-diiodophénoxy]-2,6-diiodophénol [French] [ACD/IUPAC Name]
4-[4-(2-Aminoethyl)-2,6-diiodphenoxy]-2,6-diiodphenol [German] [ACD/IUPAC Name]
Phenol, 4-(4-(2-aminoethyl)-2,6-diiodophenoxy)-2,6-diiodo-
Phenol, 4-[4-(2-aminoethyl)-2,6-diiodophenoxy]-2,6-diiodo- [ACD/Index Name]
Thyroxamine
3,3',5,5'-tetraiodothyronamine
4-[4-(2-aminoethyl)-2,6-diiodo-phenoxy]-2,6-diiodo-phenol
CHEMBL201623
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

21R0Z63YKK [DBID]
UNII:21R0Z63YKK [DBID]
UNII-21R0Z63YKK [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.6±0.1 g/cm3
Boiling Point: 506.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.6±3.0 kJ/mol
Flash Point: 260.2±30.1 °C
Index of Refraction: 1.784
Molar Refractivity: 119.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 6.27
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 10.75
ACD/KOC (pH 5.5): 26.77
ACD/LogD (pH 7.4): 3.29
ACD/BCF (pH 7.4): 52.21
ACD/KOC (pH 7.4): 130.00
Polar Surface Area: 55 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 70.8±3.0 dyne/cm
Molar Volume: 283.2±3.0 cm3

Click to predict properties on the Chemicalize site






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