ChemSpider 2D Image | 4-[(1R,2S)-2-Aminocyclopropyl]phenol | C9H11NO

4-[(1R,2S)-2-Aminocyclopropyl]phenol

  • Molecular FormulaC9H11NO
  • Average mass149.190 Da
  • Monoisotopic mass149.084061 Da
  • ChemSpider ID49551183

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-[(1R,2S)-2-Aminocyclopropyl]phenol [German] [ACD/IUPAC Name]
4-[(1R,2S)-2-Aminocyclopropyl]phenol [ACD/IUPAC Name]
4-[(1R,2S)-2-Aminocyclopropyl]phénol [French] [ACD/IUPAC Name]
Phenol, 4-[(1R,2S)-2-aminocyclopropyl]- [ACD/Index Name]
104777-77-7 [RN]
2165791-78-4 [RN]
4-((1R,2S)-2-Aminocyclopropyl)phenol
4-[(1R,2S)-rel-2-aminocyclopropyl]phenol
MFCD29918584

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 290.2±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 55.1±3.0 kJ/mol
    Flash Point: 129.3±27.3 °C
    Index of Refraction: 1.626
    Molar Refractivity: 43.7±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 3
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.52
    ACD/LogD (pH 5.5): -1.93
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.29
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 5.31
    Polar Surface Area: 46 Å2
    Polarizability: 17.3±0.5 10-24cm3
    Surface Tension: 56.5±3.0 dyne/cm
    Molar Volume: 123.4±3.0 cm3

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