ChemSpider 2D Image | N-[(1S,2R)-2,6-Dimethyl-2,3-dihydro-1H-inden-1-yl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine | C16H20FN5

N-[(1S,2R)-2,6-Dimethyl-2,3-dihydro-1H-inden-1-yl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine

  • Molecular FormulaC16H20FN5
  • Average mass301.362 Da
  • Monoisotopic mass301.170288 Da
  • ChemSpider ID111310900

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

1,3,5-Triazine-2,4-diamine, N2-[(1S,2R)-2,3-dihydro-2,6-dimethyl-1H-inden-1-yl]-6-(1-fluoroethyl)- [ACD/Index Name]
N-[(1S,2R)-2,6-Dimethyl-2,3-dihydro-1H-inden-1-yl]-6-(1-fluorethyl)-1,3,5-triazin-2,4-diamin [German] [ACD/IUPAC Name]
N-[(1S,2R)-2,6-Dimethyl-2,3-dihydro-1H-inden-1-yl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine [ACD/IUPAC Name]
N-[(1S,2R)-2,6-Diméthyl-2,3-dihydro-1H-indén-1-yl]-6-(1-fluoroéthyl)-1,3,5-triazine-2,4-diamine [French] [ACD/IUPAC 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: 513.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±3.0 kJ/mol
Flash Point: 264.1±32.9 °C
Index of Refraction: 1.628
Molar Refractivity: 85.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.87
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 134.18
ACD/KOC (pH 5.5): 1147.99
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 139.28
ACD/KOC (pH 7.4): 1191.62
Polar Surface Area: 77 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 55.5±3.0 dyne/cm
Molar Volume: 240.7±3.0 cm3

Click to predict properties on the Chemicalize site


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