ChemSpider 2D Image | 1-[3-(1-methanesulfonyl-2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]methanamine | C8H13N3O3S

1-[3-(1-methanesulfonyl-2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]methanamine

  • Molecular FormulaC8H13N3O3S
  • Average mass231.272 Da
  • Monoisotopic mass231.067764 Da
  • ChemSpider ID35497126

More details:

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

1,2,4-Oxadiazole-5-methanamine, 3-[2-methyl-1-(methylsulfonyl)cyclopropyl]- [ACD/Index Name]
1-[3-(1-methanesulfonyl-2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]methanamine
1-{3-[2-Methyl-1-(methylsulfonyl)cyclopropyl]-1,2,4-oxadiazol-5-yl}methanamin [German] [ACD/IUPAC Name]
1-{3-[2-Methyl-1-(methylsulfonyl)cyclopropyl]-1,2,4-oxadiazol-5-yl}methanamine [ACD/IUPAC Name]
1-{3-[2-Méthyl-1-(méthylsulfonyl)cyclopropyl]-1,2,4-oxadiazol-5-yl}méthanamine [French] [ACD/IUPAC Name]
1707374-14-8 [RN]
(3-(2-Methyl-1-(methylsulfonyl)cyclopropyl)-1,2,4-oxadiazol-5-yl)methanamine
[3-(2-methyl-1-methylsulfonylcyclopropyl)-1,2,4-oxadiazol-5-yl]methanamine
[3-(2-methyl-1-methylsulfonyl-cyclopropyl)-1,2,4-oxadiazol-5-yl]methanamine
MFCD26939432

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 463.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.4±3.0 kJ/mol
    Flash Point: 233.9±31.5 °C
    Index of Refraction: 1.568
    Molar Refractivity: 53.0±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -1.72
    ACD/LogD (pH 5.5): -2.09
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.25
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 4.78
    Polar Surface Area: 107 Å2
    Polarizability: 21.0±0.5 10-24cm3
    Surface Tension: 66.5±5.0 dyne/cm
    Molar Volume: 162.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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