ChemSpider 2D Image | 2-Benzyl-7-bromo-1,2,3,4-tetrahydroisoquinoline | C16H16BrN

2-Benzyl-7-bromo-1,2,3,4-tetrahydroisoquinoline

  • Molecular FormulaC16H16BrN
  • Average mass302.209 Da
  • Monoisotopic mass301.046600 Da
  • ChemSpider ID21632617

More details:

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

2-Benzyl-7-brom-1,2,3,4-tetrahydroisochinolin [German] [ACD/IUPAC Name]
2-Benzyl-7-bromo-1,2,3,4-tétrahydroisoquinoléine [French] [ACD/IUPAC Name]
2-Benzyl-7-bromo-1,2,3,4-tetrahydroisoquinoline [ACD/IUPAC Name]
Isoquinoline, 7-bromo-1,2,3,4-tetrahydro-2-(phenylmethyl)- [ACD/Index Name]
1203644-99-8 [RN]

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

PubChem Substance ID 24884288 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 374.2±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 62.2±3.0 kJ/mol
    Flash Point: 180.1±27.9 °C
    Index of Refraction: 1.629
    Molar Refractivity: 78.8±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 4.27
    ACD/LogD (pH 5.5): 2.84
    ACD/BCF (pH 5.5): 31.65
    ACD/KOC (pH 5.5): 127.93
    ACD/LogD (pH 7.4): 4.38
    ACD/BCF (pH 7.4): 1082.78
    ACD/KOC (pH 7.4): 4376.11
    Polar Surface Area: 3 Å2
    Polarizability: 31.3±0.5 10-24cm3
    Surface Tension: 48.0±3.0 dyne/cm
    Molar Volume: 221.8±3.0 cm3

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