ChemSpider 2D Image | tert-Butyl 6-(bromomethyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate | C15H20BrNO2

tert-Butyl 6-(bromomethyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate

  • Molecular FormulaC15H20BrNO2
  • Average mass326.229 Da
  • Monoisotopic mass325.067749 Da
  • ChemSpider ID28600681

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

2(1H)-Isoquinolinecarboxylic acid, 6-(bromomethyl)-3,4-dihydro-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 6-(bromomethyl)-3,4-dihydro-2(1H)-isoquinolinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-6-(brommethyl)-3,4-dihydro-2(1H)-isochinolincarboxylat [German] [ACD/IUPAC Name]
6-(Bromométhyl)-3,4-dihydro-2(1H)-isoquinoléinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
622867-53-2 [RN]
tert-Butyl 6-(bromomethyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
Chemistry 2591
MFCD12408125
N-BOC-6-BROMOMETHYL-1,2,3,4-TETRAHYDROISOQUINOLINE
n-boc-6-bromomethyl-1,2,3,4-tetrahydroisoquinoline(wx630095)
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.3±0.1 g/cm3
    Boiling Point: 400.4±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.1±3.0 kJ/mol
    Flash Point: 196.0±28.7 °C
    Index of Refraction: 1.565
    Molar Refractivity: 79.5±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.64
    ACD/LogD (pH 5.5): 4.10
    ACD/BCF (pH 5.5): 770.75
    ACD/KOC (pH 5.5): 4055.59
    ACD/LogD (pH 7.4): 4.10
    ACD/BCF (pH 7.4): 770.75
    ACD/KOC (pH 7.4): 4055.59
    Polar Surface Area: 30 Å2
    Polarizability: 31.5±0.5 10-24cm3
    Surface Tension: 45.0±3.0 dyne/cm
    Molar Volume: 244.0±3.0 cm3

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