ChemSpider 2D Image | (2S)-1-Chloro-3-phenyl-2-propanamine | C9H12ClN

(2S)-1-Chloro-3-phenyl-2-propanamine

  • Molecular FormulaC9H12ClN
  • Average mass169.651 Da
  • Monoisotopic mass169.065826 Da
  • ChemSpider ID32991669

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-Chlor-3-phenyl-2-propanamin [German] [ACD/IUPAC Name]
(2S)-1-Chloro-3-phenyl-2-propanamine [ACD/IUPAC Name]
(2S)-1-Chloro-3-phényl-2-propanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, α-(chloromethyl)-, (αS)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 256.6±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.4±3.0 kJ/mol
Flash Point: 109.0±24.0 °C
Index of Refraction: 1.545
Molar Refractivity: 48.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.00
ACD/LogD (pH 5.5): -0.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 2.12
ACD/KOC (pH 7.4): 28.97
Polar Surface Area: 26 Å2
Polarizability: 19.3±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 154.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement