ChemSpider 2D Image | N-[(2S)-4-Methyl-2-pentanyl]-N'-phenyl-1,4-benzenediamine | C18H24N2

N-[(2S)-4-Methyl-2-pentanyl]-N'-phenyl-1,4-benzenediamine

  • Molecular FormulaC18H24N2
  • Average mass268.397 Da
  • Monoisotopic mass268.193939 Da
  • ChemSpider ID32787005

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,4-Benzenediamine, N1-[(1S)-1,3-dimethylbutyl]-N4-phenyl- [ACD/Index Name]
N-[(2S)-4-Methyl-2-pentanyl]-N'-phenyl-1,4-benzenediamine [ACD/IUPAC Name]
N-[(2S)-4-Méthyl-2-pentanyl]-N'-phényl-1,4-benzènediamine [French] [ACD/IUPAC Name]
N-[(2S)-4-Methyl-2-pentanyl]-N'-phenyl-1,4-benzoldiamin [German] [ACD/IUPAC Name]
212-344-0 [EINECS]
N-(1,3-dimethylbutyl)-N'-phenyl-p-phenylenediamine
UNII-HJD0U67PS1

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

Density: 1.0±0.1 g/cm3
Boiling Point: 412.3±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.5±3.0 kJ/mol
Flash Point: 245.8±15.8 °C
Index of Refraction: 1.600
Molar Refractivity: 88.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 133.57
ACD/KOC (pH 5.5): 656.11
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 907.68
ACD/KOC (pH 7.4): 4458.72
Polar Surface Area: 24 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 258.2±3.0 cm3

Click to predict properties on the Chemicalize site


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