ChemSpider 2D Image | (2S)-1-(4-Bromophenyl)-2-(methylamino)-1-propanone | C10H12BrNO

(2S)-1-(4-Bromophenyl)-2-(methylamino)-1-propanone

  • Molecular FormulaC10H12BrNO
  • Average mass242.112 Da
  • Monoisotopic mass241.010223 Da
  • ChemSpider ID72842468

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-(4-Bromophenyl)-2-(methylamino)-1-propanone [ACD/IUPAC Name]
(2S)-1-(4-Bromophényl)-2-(méthylamino)-1-propanone [French] [ACD/IUPAC Name]
(2S)-1-(4-Bromphenyl)-2-(methylamino)-1-propanon [German] [ACD/IUPAC Name]
1-Propanone, 1-(4-bromophenyl)-2-(methylamino)-, (2S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 321.9±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.4±3.0 kJ/mol
Flash Point: 148.5±23.7 °C
Index of Refraction: 1.546
Molar Refractivity: 56.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.16
ACD/LogD (pH 5.5): 0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.72
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 14.51
ACD/KOC (pH 7.4): 209.50
Polar Surface Area: 29 Å2
Polarizability: 22.5±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 179.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement