ChemSpider 2D Image | 3-Iodo-N-[(2S)-2-pentanyl]aniline | C11H16IN

3-Iodo-N-[(2S)-2-pentanyl]aniline

  • Molecular FormulaC11H16IN
  • Average mass289.156 Da
  • Monoisotopic mass289.032745 Da
  • ChemSpider ID62623194

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-Iod-N-[(2S)-2-pentanyl]anilin [German] [ACD/IUPAC Name]
3-Iodo-N-[(2S)-2-pentanyl]aniline [ACD/IUPAC Name]
3-Iodo-N-[(2S)-2-pentanyl]aniline [French] [ACD/IUPAC Name]
Benzenamine, 3-iodo-N-[(1S)-1-methylbutyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 329.0±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.1±3.0 kJ/mol
Flash Point: 152.7±23.2 °C
Index of Refraction: 1.597
Molar Refractivity: 67.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.00
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 916.80
ACD/KOC (pH 5.5): 4254.40
ACD/LogD (pH 7.4): 4.35
ACD/BCF (pH 7.4): 1194.72
ACD/KOC (pH 7.4): 5544.06
Polar Surface Area: 12 Å2
Polarizability: 26.7±0.5 10-24cm3
Surface Tension: 40.6±3.0 dyne/cm
Molar Volume: 197.4±3.0 cm3

Click to predict properties on the Chemicalize site


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