ChemSpider 2D Image | 7-Chloro-4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline | C11H14ClN

7-Chloro-4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline

  • Molecular FormulaC11H14ClN
  • Average mass195.689 Da
  • Monoisotopic mass195.081482 Da
  • ChemSpider ID25721041

More details:

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

1267981-28-1 [RN]
7-Chlor-4,4-dimethyl-1,2,3,4-tetrahydroisochinolin [German] [ACD/IUPAC Name]
7-Chloro-4,4-diméthyl-1,2,3,4-tétrahydroisoquinoléine [French] [ACD/IUPAC Name]
7-Chloro-4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline [ACD/IUPAC Name]
Isoquinoline, 7-chloro-1,2,3,4-tetrahydro-4,4-dimethyl- [ACD/Index Name]
7-chloro-4,4-dimethyl-2,3-dihydro-1H-isoquinoline
MFCD19348568 [MDL number]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 270.4±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 50.9±3.0 kJ/mol
    Flash Point: 117.4±27.3 °C
    Index of Refraction: 1.525
    Molar Refractivity: 56.0±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 1
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 3.03
    ACD/LogD (pH 5.5): 0.21
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.31
    ACD/LogD (pH 7.4): 1.41
    ACD/BCF (pH 7.4): 2.54
    ACD/KOC (pH 7.4): 20.72
    Polar Surface Area: 12 Å2
    Polarizability: 22.2±0.5 10-24cm3
    Surface Tension: 35.3±3.0 dyne/cm
    Molar Volume: 182.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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