ChemSpider 2D Image | N-(2-Chloro-1H-purin-6-yl)alanine | C8H8ClN5O2

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

  • Molecular FormulaC8H8ClN5O2
  • Average mass241.634 Da
  • Monoisotopic mass241.036652 Da
  • ChemSpider ID29349174

More details:

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

Alanine, N-(2-chloro-9H-purin-6-yl)- [ACD/Index Name]
N-(2-Chlor-1H-purin-6-yl)alanin [German] [ACD/IUPAC Name]
N-(2-Chloro-1H-purin-6-yl)alanine [ACD/IUPAC Name]
N-(2-Chloro-1H-purin-6-yl)alanine [French] [ACD/IUPAC Name]
2-[(2-CHLORO-9H-PURIN-6-YL)AMINO]PROPANOIC ACID
VS-12185

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 605.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 94.7±3.0 kJ/mol
    Flash Point: 320.2±31.5 °C
    Index of Refraction: 1.762
    Molar Refractivity: 58.1±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.75
    ACD/LogD (pH 5.5): -1.19
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.11
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 104 Å2
    Polarizability: 23.0±0.5 10-24cm3
    Surface Tension: 100.8±3.0 dyne/cm
    Molar Volume: 141.0±3.0 cm3

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