ChemSpider 2D Image | [2-Chloro-6-(dimethylamino)-9H-purin-9-yl]acetic acid | C9H10ClN5O2

[2-Chloro-6-(dimethylamino)-9H-purin-9-yl]acetic acid

  • Molecular FormulaC9H10ClN5O2
  • Average mass255.661 Da
  • Monoisotopic mass255.052307 Da
  • ChemSpider ID44205793

More details:

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

[2-Chlor-6-(dimethylamino)-9H-purin-9-yl]essigsäure [German] [ACD/IUPAC Name]
[2-Chloro-6-(dimethylamino)-9H-purin-9-yl]acetic acid [ACD/IUPAC Name]
9H-Purine-9-acetic acid, 2-chloro-6-(dimethylamino)- [ACD/Index Name]
Acide [2-chloro-6-(diméthylamino)-9H-purin-9-yl]acétique [French] [ACD/IUPAC Name]
2-(2-chloro-6-(dimethylamino)-9H-purin-9-yl)acetic acid
2-[2-chloro-6-(dimethylamino)-9H-purin-9-yl]acetic acid
2109509-88-6 [RN]
VS-13498

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 456.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.5±3.0 kJ/mol
    Flash Point: 229.7±31.5 °C
    Index of Refraction: 1.711
    Molar Refractivity: 61.9±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.99
    ACD/LogD (pH 5.5): -0.54
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.27
    ACD/LogD (pH 7.4): -1.97
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 84 Å2
    Polarizability: 24.6±0.5 10-24cm3
    Surface Tension: 62.3±7.0 dyne/cm
    Molar Volume: 158.4±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement