ChemSpider 2D Image | 4-[(2S)-2-Aminopropyl]-3-bromo-N,N-dimethylaniline | C11H17BrN2

4-[(2S)-2-Aminopropyl]-3-bromo-N,N-dimethylaniline

  • Molecular FormulaC11H17BrN2
  • Average mass257.170 Da
  • Monoisotopic mass256.057495 Da
  • ChemSpider ID97465804

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-[(2S)-2-Aminopropyl]-3-brom-N,N-dimethylanilin [German] [ACD/IUPAC Name]
4-[(2S)-2-Aminopropyl]-3-bromo-N,N-dimethylaniline [ACD/IUPAC Name]
4-[(2S)-2-Aminopropyl]-3-bromo-N,N-diméthylaniline [French] [ACD/IUPAC Name]
Benzeneethanamine, 2-bromo-4-(dimethylamino)-α-methyl-, (αS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 349.5±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.4±3.0 kJ/mol
Flash Point: 165.2±23.7 °C
Index of Refraction: 1.584
Molar Refractivity: 65.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.05
ACD/LogD (pH 5.5): -0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.56
Polar Surface Area: 29 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 197.0±3.0 cm3

Click to predict properties on the Chemicalize site


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