ChemSpider 2D Image | N-[1-(5-Iodo-3-thienyl)-2-(2-nitrophenyl)ethyl]-1-propanamine | C15H17IN2O2S

N-[1-(5-Iodo-3-thienyl)-2-(2-nitrophenyl)ethyl]-1-propanamine

  • Molecular FormulaC15H17IN2O2S
  • Average mass416.277 Da
  • Monoisotopic mass416.005524 Da
  • ChemSpider ID36286076

More details:

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

3-Thiophenemethanamine, 5-iodo-α-[(2-nitrophenyl)methyl]-N-propyl- [ACD/Index Name]
N-[1-(5-Iod-3-thienyl)-2-(2-nitrophenyl)ethyl]-1-propanamin [German] [ACD/IUPAC Name]
N-[1-(5-Iodo-3-thienyl)-2-(2-nitrophenyl)ethyl]-1-propanamine [ACD/IUPAC Name]
N-[1-(5-Iodo-3-thiényl)-2-(2-nitrophényl)éthyl]-1-propanamine [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 454.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.4±3.0 kJ/mol
Flash Point: 228.6±28.7 °C
Index of Refraction: 1.640
Molar Refractivity: 95.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 4.36
ACD/KOC (pH 5.5): 17.12
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 193.34
ACD/KOC (pH 7.4): 758.92
Polar Surface Area: 86 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 265.4±3.0 cm3

Click to predict properties on the Chemicalize site


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