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Search term: REKSFCCYDQMSIN (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Longdaysin | C16H16F3N5

Longdaysin

  • Molecular FormulaC16H16F3N5
  • Average mass335.327 Da
  • Monoisotopic mass335.135773 Da
  • ChemSpider ID24751747

More details:

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

1353867-91-0 [RN]
9-(PROPAN-2-YL)-N-{[3-(TRIFLUOROMETHYL)PHENYL]METHYL}-9H-PURIN-6-AMINE
9H-Purin-6-amine, 9-(1-methylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]- [ACD/Index Name]
9-isopropyl-N-(3-(trifluoromethyl)benzyl)-9H-purin-6-amine
9-Isopropyl-N-[3-(trifluormethyl)benzyl]-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-Isopropyl-N-[3-(trifluoromethyl)benzyl]-9H-purin-6-amine [ACD/IUPAC Name]
9-Isopropyl-N-[3-(trifluorométhyl)benzyl]-9H-purin-6-amine [French] [ACD/IUPAC Name]
9-ISOPROPYL-N-{[3-(TRIFLUOROMETHYL)PHENYL]METHYL}PURIN-6-AMINE
Longdaysin
MFCD20527323
More...

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 447.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.6±3.0 kJ/mol
    Flash Point: 224.5±31.5 °C
    Index of Refraction: 1.602
    Molar Refractivity: 84.6±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.24
    ACD/LogD (pH 5.5): 3.87
    ACD/BCF (pH 5.5): 512.55
    ACD/KOC (pH 5.5): 3016.72
    ACD/LogD (pH 7.4): 3.88
    ACD/BCF (pH 7.4): 519.57
    ACD/KOC (pH 7.4): 3058.01
    Polar Surface Area: 56 Å2
    Polarizability: 33.5±0.5 10-24cm3
    Surface Tension: 40.3±7.0 dyne/cm
    Molar Volume: 246.6±7.0 cm3

    Click to predict properties on the Chemicalize site


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