ChemSpider 2D Image | N-[(2-Ethyl-1,3-thiazol-5-yl)methyl]-3-iodo-4-methylaniline | C13H15IN2S

N-[(2-Ethyl-1,3-thiazol-5-yl)methyl]-3-iodo-4-methylaniline

  • Molecular FormulaC13H15IN2S
  • Average mass358.241 Da
  • Monoisotopic mass358.000061 Da
  • ChemSpider ID33309177

More details:

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

5-Thiazolemethanamine, 2-ethyl-N-(3-iodo-4-methylphenyl)- [ACD/Index Name]
N-[(2-Ethyl-1,3-thiazol-5-yl)methyl]-3-iod-4-methylanilin [German] [ACD/IUPAC Name]
N-[(2-Ethyl-1,3-thiazol-5-yl)methyl]-3-iodo-4-methylaniline [ACD/IUPAC Name]
N-[(2-Éthyl-1,3-thiazol-5-yl)méthyl]-3-iodo-4-méthylaniline [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: 429.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.5±3.0 kJ/mol
Flash Point: 213.5±27.3 °C
Index of Refraction: 1.676
Molar Refractivity: 84.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.47
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 922.27
ACD/KOC (pH 5.5): 4597.79
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 931.87
ACD/KOC (pH 7.4): 4645.66
Polar Surface Area: 53 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 223.5±3.0 cm3

Click to predict properties on the Chemicalize site


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