ChemSpider 2D Image | 4-Iodo-N~1~-[1-(5-methyl-2-thienyl)ethyl]-1,2-benzenediamine | C13H15IN2S

4-Iodo-N1-[1-(5-methyl-2-thienyl)ethyl]-1,2-benzenediamine

  • Molecular FormulaC13H15IN2S
  • Average mass358.241 Da
  • Monoisotopic mass358.000061 Da
  • ChemSpider ID71477029

More details:

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

1,2-Benzenediamine, 4-iodo-N1-[1-(5-methyl-2-thienyl)ethyl]- [ACD/Index Name]
4-Iod-N1-[1-(5-methyl-2-thienyl)ethyl]-1,2-benzoldiamin [German] [ACD/IUPAC Name]
4-Iodo-N1-[1-(5-methyl-2-thienyl)ethyl]-1,2-benzenediamine [ACD/IUPAC Name]
4-Iodo-N1-[1-(5-méthyl-2-thiényl)éthyl]-1,2-benzènediamine [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 440.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.7±3.0 kJ/mol
Flash Point: 220.1±28.7 °C
Index of Refraction: 1.716
Molar Refractivity: 85.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.86
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 917.42
ACD/KOC (pH 5.5): 4517.61
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 972.56
ACD/KOC (pH 7.4): 4789.13
Polar Surface Area: 66 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 58.1±3.0 dyne/cm
Molar Volume: 217.0±3.0 cm3

Click to predict properties on the Chemicalize site


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