ChemSpider 2D Image | (2S)-1-(2-Iodophenyl)-2-propanamine | C9H12IN

(2S)-1-(2-Iodophenyl)-2-propanamine

  • Molecular FormulaC9H12IN
  • Average mass261.103 Da
  • Monoisotopic mass261.001434 Da
  • ChemSpider ID110568198

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-(2-Iodophenyl)-2-propanamine [ACD/IUPAC Name]
(2S)-1-(2-Iodophényl)-2-propanamine [French] [ACD/IUPAC Name]
(2S)-1-(2-Iodphenyl)-2-propanamin [German] [ACD/IUPAC Name]
Benzeneethanamine, 2-iodo-α-methyl-, (αS)- [ACD/Index 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: 291.9±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.1±3.0 kJ/mol
Flash Point: 130.3±20.4 °C
Index of Refraction: 1.606
Molar Refractivity: 56.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.84
ACD/LogD (pH 5.5): -0.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.91
Polar Surface Area: 26 Å2
Polarizability: 22.5±0.5 10-24cm3
Surface Tension: 44.4±3.0 dyne/cm
Molar Volume: 164.9±3.0 cm3

Click to predict properties on the Chemicalize site


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