ChemSpider 2D Image | (1S,2S)-2-Fluoro-N-(2-propyn-1-yl)-1-indanamine | C12H12FN

(1S,2S)-2-Fluoro-N-(2-propyn-1-yl)-1-indanamine

  • Molecular FormulaC12H12FN
  • Average mass189.229 Da
  • Monoisotopic mass189.095383 Da
  • ChemSpider ID28525192

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,2S)-2-Fluor-N-(2-propin-1-yl)-1-indanamin [German] [ACD/IUPAC Name]
(1S,2S)-2-Fluoro-N-(2-propyn-1-yl)-1-indanamine [ACD/IUPAC Name]
(1S,2S)-2-Fluoro-N-(2-propyn-1-yl)-1-indanamine [French] [ACD/IUPAC Name]
1H-Inden-1-amine, 2-fluoro-2,3-dihydro-N-2-propyn-1-yl-, (1S,2S)- [ACD/Index Name]
(1S,2S)-2-fluoro-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-amine
1146973-11-6 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 314.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.6±3.0 kJ/mol
Flash Point: 144.3±27.9 °C
Index of Refraction: 1.554
Molar Refractivity: 54.0±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 9.27
ACD/KOC (pH 5.5): 131.87
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 22.86
ACD/KOC (pH 7.4): 325.14
Polar Surface Area: 12 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 40.6±5.0 dyne/cm
Molar Volume: 168.5±5.0 cm3

Click to predict properties on the Chemicalize site


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