ChemSpider 2D Image | N~2~-[(1S)-1-(4-Bromophenyl)ethyl]-4-chloro-N~1~,N~1~-dimethyl-1,2-benzenediamine | C16H18BrClN2

N2-[(1S)-1-(4-Bromophenyl)ethyl]-4-chloro-N1,N1-dimethyl-1,2-benzenediamine

  • Molecular FormulaC16H18BrClN2
  • Average mass353.685 Da
  • Monoisotopic mass352.034180 Da
  • ChemSpider ID62511604

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,2-Benzenediamine, N2-[(1S)-1-(4-bromophenyl)ethyl]-4-chloro-N1,N1-dimethyl- [ACD/Index Name]
N2-[(1S)-1-(4-Bromophenyl)ethyl]-4-chloro-N1,N1-dimethyl-1,2-benzenediamine [ACD/IUPAC Name]
N2-[(1S)-1-(4-Bromophényl)éthyl]-4-chloro-N1,N1-diméthyl-1,2-benzènediamine [French] [ACD/IUPAC Name]
N2-[(1S)-1-(4-Bromphenyl)ethyl]-4-chlor-N1,N1-dimethyl-1,2-benzoldiamin [German] [ACD/IUPAC 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: 451.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.0±3.0 kJ/mol
Flash Point: 226.7±27.3 °C
Index of Refraction: 1.647
Molar Refractivity: 91.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 4.40
ACD/BCF (pH 5.5): 758.22
ACD/KOC (pH 5.5): 2128.89
ACD/LogD (pH 7.4): 5.32
ACD/BCF (pH 7.4): 6347.66
ACD/KOC (pH 7.4): 17822.73
Polar Surface Area: 15 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 253.0±3.0 cm3

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