ChemSpider 2D Image | (2S)-4-(2-Chloro-7H-purin-8-yl)-1,1,1-trifluoro-2-butanamine | C9H9ClF3N5

(2S)-4-(2-Chloro-7H-purin-8-yl)-1,1,1-trifluoro-2-butanamine

  • Molecular FormulaC9H9ClF3N5
  • Average mass279.650 Da
  • Monoisotopic mass279.049866 Da
  • ChemSpider ID88843095

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-4-(2-Chlor-7H-purin-8-yl)-1,1,1-trifluor-2-butanamin [German] [ACD/IUPAC Name]
(2S)-4-(2-Chloro-7H-purin-8-yl)-1,1,1-trifluoro-2-butanamine [ACD/IUPAC Name]
(2S)-4-(2-Chloro-7H-purin-8-yl)-1,1,1-trifluoro-2-butanamine [French] [ACD/IUPAC Name]
7H-Purine-8-propanamine, 2-chloro-α-(trifluoromethyl)-, (αS)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.588
Molar Refractivity: 60.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.16
ACD/LogD (pH 5.5): 0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.49
ACD/LogD (pH 7.4): 0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 34.52
Polar Surface Area: 80 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 57.6±3.0 dyne/cm
Molar Volume: 179.8±3.0 cm3

Click to predict properties on the Chemicalize site


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