ChemSpider 2D Image | 2-(7-Chloro-1,3-benzodioxol-5-yl)ethanamine | C9H10ClNO2

2-(7-Chloro-1,3-benzodioxol-5-yl)ethanamine

  • Molecular FormulaC9H10ClNO2
  • Average mass199.634 Da
  • Monoisotopic mass199.040009 Da
  • ChemSpider ID22484436

More details:

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

1,3-Benzodioxole-5-ethanamine, 7-chloro- [ACD/Index Name]
2-(7-Chlor-1,3-benzodioxol-5-yl)ethanamin [German] [ACD/IUPAC Name]
2-(7-Chloro-1,3-benzodioxol-5-yl)ethanamine [ACD/IUPAC Name]
2-(7-Chloro-1,3-benzodioxol-5-yl)éthanamine [French] [ACD/IUPAC Name]
2-(7-chloro-1,3-dioxaindan-5-yl)ethan-1-amine
2-(7-chloro-2H-1,3-benzodioxol-5-yl)ethan-1-amine
732187-06-3 [RN]
AGN-PC-05EYVE
AKOS009314404
MFCD11182044

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 308.8±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 54.9±3.0 kJ/mol
    Flash Point: 140.5±27.9 °C
    Index of Refraction: 1.591
    Molar Refractivity: 50.4±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.88
    ACD/LogD (pH 5.5): -1.09
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.12
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.30
    Polar Surface Area: 44 Å2
    Polarizability: 20.0±0.5 10-24cm3
    Surface Tension: 54.0±3.0 dyne/cm
    Molar Volume: 149.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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