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Search term: KIXGKGGCXPSNDX (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3,3',5-triiodothyronamine | C14H12I3NO2

3,3',5-triiodothyronamine

  • Molecular FormulaC14H12I3NO2
  • Average mass606.964 Da
  • Monoisotopic mass606.800171 Da
  • ChemSpider ID144879

More details:

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

3,3',5-triiodothyronamine
4-[4-(2-Aminoethyl)-2,6-diiodophenoxy]-2-iodophenol [ACD/IUPAC Name]
4-[4-(2-Aminoéthyl)-2,6-diiodophénoxy]-2-iodophénol [French] [ACD/IUPAC Name]
4-[4-(2-Aminoethyl)-2,6-diiodphenoxy]-2-iodphenol [German] [ACD/IUPAC Name]
4731-88-8 [RN]
Phenol, 4-(4-(2-aminoethyl)-2,6-diiodophenoxy)-2-iodo-
Phenol, 4-[4-(2-aminoethyl)-2,6-diiodophenoxy]-2-iodo- [ACD/Index Name]
4-[4-(2-aminoethyl)-2,6-diiodophenoxy]-2-iodopheno
5439-34-9 [RN]
CHEMBL201885
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.3±0.1 g/cm3
Boiling Point: 489.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.5±3.0 kJ/mol
Flash Point: 250.1±28.7 °C
Index of Refraction: 1.750
Molar Refractivity: 106.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 5.43
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 2.58
ACD/KOC (pH 5.5): 9.39
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 26.35
ACD/KOC (pH 7.4): 95.95
Polar Surface Area: 55 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 66.5±3.0 dyne/cm
Molar Volume: 261.2±3.0 cm3

Click to predict properties on the Chemicalize site


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