ChemSpider 2D Image | 2-amino-4-(3-(benzyloxy)phenyl)-1H-pyrrole-3-carbonitrile | C18H15N3O

2-amino-4-(3-(benzyloxy)phenyl)-1H-pyrrole-3-carbonitrile

  • Molecular FormulaC18H15N3O
  • Average mass289.331 Da
  • Monoisotopic mass289.121521 Da
  • ChemSpider ID24747651

More details:

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

1179361-70-6 [RN]
1H-Pyrrole-3-carbonitrile, 2-amino-4-[3-(phenylmethoxy)phenyl]- [ACD/Index Name]
2-amino-4-(3-(benzyloxy)phenyl)-1H-pyrrole-3-carbonitrile
2-Amino-4-[3-(benzyloxy)phenyl]-1H-pyrrol-3-carbonitril [German] [ACD/IUPAC Name]
2-Amino-4-[3-(benzyloxy)phenyl]-1H-pyrrole-3-carbonitrile [ACD/IUPAC Name]
2-Amino-4-[3-(benzyloxy)phényl]-1H-pyrrole-3-carbonitrile [French] [ACD/IUPAC Name]
[1179361-70-6] [RN]
2-amino-4-(3-phenylmethoxyphenyl)-1H-pyrrole-3-carbonitrile
AJ-93293
AKOS015854765
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 584.1±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 87.3±3.0 kJ/mol
    Flash Point: 307.1±30.1 °C
    Index of Refraction: 1.677
    Molar Refractivity: 84.6±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 3
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 4.53
    ACD/LogD (pH 5.5): 3.45
    ACD/BCF (pH 5.5): 248.46
    ACD/KOC (pH 5.5): 1803.26
    ACD/LogD (pH 7.4): 3.45
    ACD/BCF (pH 7.4): 248.59
    ACD/KOC (pH 7.4): 1804.24
    Polar Surface Area: 75 Å2
    Polarizability: 33.6±0.5 10-24cm3
    Surface Tension: 68.5±5.0 dyne/cm
    Molar Volume: 224.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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