ChemSpider 2D Image | 2-bromo-1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one | C13H16BrNO

2-bromo-1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one

  • Molecular FormulaC13H16BrNO
  • Average mass282.176 Da
  • Monoisotopic mass281.041504 Da
  • ChemSpider ID21800711

More details:

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

1119453-05-2 [RN]
1-Butanone, 2-bromo-1-(3,4-dihydro-2(1H)-isoquinolinyl)- [ACD/Index Name]
2-Brom-1-(3,4-dihydro-2(1H)-isochinolinyl)-1-butanon [German] [ACD/IUPAC Name]
2-bromo-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)butan-1-one
2-bromo-1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one
2-Bromo-1-(3,4-dihydro-2(1H)-isoquinoléinyl)-1-butanone [French] [ACD/IUPAC Name]
2-Bromo-1-(3,4-dihydro-2(1H)-isoquinolinyl)-1-butanone [ACD/IUPAC Name]
2-bromo-1-(3,4-dihydroisoquinolin-2(1H)-yl)butan-1-one
2-(2-Bromobutanoyl)-1,2,3,4-tetrahydroisoquinoline
2-bromo-1-(2-1,2,3,4-tetrahydroisoquinolyl)butan-1-one

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

MFCD12027340 [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: 396.8±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.7±3.0 kJ/mol
    Flash Point: 193.8±27.9 °C
    Index of Refraction: 1.579
    Molar Refractivity: 68.2±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.23
    ACD/LogD (pH 5.5): 3.40
    ACD/BCF (pH 5.5): 227.35
    ACD/KOC (pH 5.5): 1692.49
    ACD/LogD (pH 7.4): 3.40
    ACD/BCF (pH 7.4): 227.35
    ACD/KOC (pH 7.4): 1692.49
    Polar Surface Area: 20 Å2
    Polarizability: 27.0±0.5 10-24cm3
    Surface Tension: 46.3±3.0 dyne/cm
    Molar Volume: 205.1±3.0 cm3

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