ChemSpider 2D Image | 1-{7-Amino-5-[(2S)-2-bromopropyl]-2,3-dihydro-1H-indol-1-yl}ethanone | C13H17BrN2O

1-{7-Amino-5-[(2S)-2-bromopropyl]-2,3-dihydro-1H-indol-1-yl}ethanone

  • Molecular FormulaC13H17BrN2O
  • Average mass297.191 Da
  • Monoisotopic mass296.052429 Da
  • ChemSpider ID32792445

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-{7-Amino-5-[(2S)-2-bromopropyl]-2,3-dihydro-1H-indol-1-yl}ethanone [ACD/IUPAC Name]
1-{7-Amino-5-[(2S)-2-bromopropyl]-2,3-dihydro-1H-indol-1-yl}éthanone [French] [ACD/IUPAC Name]
1-{7-Amino-5-[(2S)-2-brompropyl]-2,3-dihydro-1H-indol-1-yl}ethanon [German] [ACD/IUPAC Name]
Ethanone, 1-[7-amino-5-[(2S)-2-bromopropyl]-2,3-dihydro-1H-indol-1-yl]- [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: 497.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.5±3.0 kJ/mol
Flash Point: 254.6±28.7 °C
Index of Refraction: 1.624
Molar Refractivity: 72.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.70
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 25.12
ACD/KOC (pH 5.5): 347.89
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 25.59
ACD/KOC (pH 7.4): 354.36
Polar Surface Area: 46 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 206.0±3.0 cm3

Click to predict properties on the Chemicalize site


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