ChemSpider 2D Image | N~6~-[2-(2-Thienyl)ethyl]-3H-purine-2,6-diamine | C11H12N6S

N6-[2-(2-Thienyl)ethyl]-3H-purine-2,6-diamine

  • Molecular FormulaC11H12N6S
  • Average mass260.318 Da
  • Monoisotopic mass260.084412 Da
  • ChemSpider ID23493846

More details:

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

7H-Purine-2,6-diamine, N6-[2-(2-thienyl)ethyl]- [ACD/Index Name]
N6-[2-(2-Thienyl)ethyl]-3H-purin-2,6-diamin [German] [ACD/IUPAC Name]
N6-[2-(2-Thienyl)ethyl]-3H-purine-2,6-diamine [ACD/IUPAC Name]
N6-[2-(2-Thiényl)éthyl]-3H-purine-2,6-diamine [French] [ACD/IUPAC Name]
N6-[2-(2-Thienyl)ethyl]-7H-purine-2,6-diamine
1144474-05-4 [RN]
6-N-(2-thiophen-2-ylethyl)-7H-purine-2,6-diamine
N*6*-(2-Thiophen-2-yl-ethyl)-9H-purine-2,6-diamine
N6-[2-(thiophen-2-yl)ethyl]-7H-purine-2,6-diamine

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 703.4±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 102.9±3.0 kJ/mol
    Flash Point: 379.2±35.7 °C
    Index of Refraction: 1.823
    Molar Refractivity: 74.2±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 4
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.12
    ACD/LogD (pH 5.5): 2.02
    ACD/BCF (pH 5.5): 18.18
    ACD/KOC (pH 5.5): 244.15
    ACD/LogD (pH 7.4): 2.21
    ACD/BCF (pH 7.4): 28.29
    ACD/KOC (pH 7.4): 380.04
    Polar Surface Area: 121 Å2
    Polarizability: 29.4±0.5 10-24cm3
    Surface Tension: 96.7±3.0 dyne/cm
    Molar Volume: 170.0±3.0 cm3

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