ChemSpider 2D Image | 1,3-Dichloro-5,6,7,8-tetrahydroisoquinoline | C9H9Cl2N

1,3-Dichloro-5,6,7,8-tetrahydroisoquinoline

  • Molecular FormulaC9H9Cl2N
  • Average mass202.081 Da
  • Monoisotopic mass201.011200 Da
  • ChemSpider ID45409557

More details:

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

1,3-Dichlor-5,6,7,8-tetrahydroisochinolin [German] [ACD/IUPAC Name]
1,3-Dichloro-5,6,7,8-tétrahydroisoquinoléine [French] [ACD/IUPAC Name]
1,3-Dichloro-5,6,7,8-tetrahydroisoquinoline [ACD/IUPAC Name]
38969-63-0 [RN]
Isoquinoline, 1,3-dichloro-5,6,7,8-tetrahydro- [ACD/Index Name]
1,3-Dichloro-5,6,7,8-tetrahydro-isoquinoline
ISOQUINOLINE, 1,3-DICHLORO-5,6,7,8-TETRAHYDRO-(WXC08829)
MFCD30292742
n1c(cc2c(c1Cl)CCCC2)Cl

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 300.1±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 51.8±3.0 kJ/mol
    Flash Point: 163.6±13.5 °C
    Index of Refraction: 1.578
    Molar Refractivity: 50.9±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 3.77
    ACD/LogD (pH 5.5): 3.94
    ACD/BCF (pH 5.5): 579.43
    ACD/KOC (pH 5.5): 3306.41
    ACD/LogD (pH 7.4): 3.94
    ACD/BCF (pH 7.4): 579.43
    ACD/KOC (pH 7.4): 3306.41
    Polar Surface Area: 13 Å2
    Polarizability: 20.2±0.5 10-24cm3
    Surface Tension: 46.0±3.0 dyne/cm
    Molar Volume: 153.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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