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Search term: MF = 'C_{10}H_{12}ClN_{5}O_{2}'
ChemSpider 2D Image | N-(2-Chloro-1H-purin-6-yl)valine | C10H12ClN5O2

N-(2-Chloro-1H-purin-6-yl)valine

  • Molecular FormulaC10H12ClN5O2
  • Average mass269.688 Da
  • Monoisotopic mass269.067963 Da
  • ChemSpider ID29345328

More details:

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

N-(2-Chlor-1H-purin-6-yl)valin [German] [ACD/IUPAC Name]
N-(2-Chloro-1H-purin-6-yl)valine [ACD/IUPAC Name]
N-(2-Chloro-1H-purin-6-yl)valine [French] [ACD/IUPAC Name]
Valine, N-(2-chloro-9H-purin-6-yl)- [ACD/Index Name]
2-[(2-CHLORO-9H-PURIN-6-YL)AMINO]-3-METHYLBUTANOIC ACID
VS-12181

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 579.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 91.2±3.0 kJ/mol
    Flash Point: 304.2±30.1 °C
    Index of Refraction: 1.699
    Molar Refractivity: 67.3±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.63
    ACD/LogD (pH 5.5): -0.16
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.55
    ACD/LogD (pH 7.4): -2.11
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 104 Å2
    Polarizability: 26.7±0.5 10-24cm3
    Surface Tension: 81.3±3.0 dyne/cm
    Molar Volume: 174.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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