ChemSpider 2D Image | 8-((6-iodobenzo[d][1,3]dioxol-5-yl)thio)-9-(3-(isopropylamino)propyl)-9H-purin-6-amine | C18H21IN6O2S

8-((6-iodobenzo[d][1,3]dioxol-5-yl)thio)-9-(3-(isopropylamino)propyl)-9H-purin-6-amine

  • Molecular FormulaC18H21IN6O2S
  • Average mass512.368 Da
  • Monoisotopic mass512.049133 Da
  • ChemSpider ID7828134

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

8-((6-iodobenzo[d][1,3]dioxol-5-yl)thio)-9-(3-(isopropylamino)propyl)-9H-purin-6-amine
8-[(6-Iod-1,3-benzodioxol-5-yl)sulfanyl]-9-[3-(isopropylamino)propyl]-9H-purin-6-amin [German] [ACD/IUPAC Name]
8-[(6-Iodo-1,3-benzodioxol-5-yl)sulfanyl]-9-[3-(isopropylamino)propyl]-9H-purin-6-amine [ACD/IUPAC Name]
8-[(6-Iodo-1,3-benzodioxol-5-yl)sulfanyl]-9-[3-(isopropylamino)propyl]-9H-purin-6-amine [French] [ACD/IUPAC Name]
873436-91-0 [RN]
9H-Purine-9-propanamine, 6-amino-8-[(6-iodo-1,3-benzodioxol-5-yl)thio]-N-(1-methylethyl)- [ACD/Index Name]
[873436-91-0] [RN]
1202865-65-3 [RN]
2fwz
3-[6-amino-8-[(6-iodo-1,3-benzodioxol-5-yl)thio]purin-9-yl]propyl-isopropyl-amine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

06IVK87M04 [DBID]
CCRIS 4693 [DBID]
NChemBio.2007.10-comp5 [DBID]
PN 200-110 | [DBID]
UNII:06IVK87M04 [DBID]
UNII-06IVK87M04 [DBID]

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 650.6±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 95.9±3.0 kJ/mol
    Flash Point: 347.3±34.3 °C
    Index of Refraction: 1.777
    Molar Refractivity: 116.3±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 4.11
    ACD/LogD (pH 5.5): 0.23
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.23
    ACD/LogD (pH 7.4): 0.74
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.99
    Polar Surface Area: 125 Å2
    Polarizability: 46.1±0.5 10-24cm3
    Surface Tension: 63.9±7.0 dyne/cm
    Molar Volume: 278.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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