ChemSpider 2D Image | tert-Butyl-1-(hydroxymethyl)-3,4-dihydroisochinolin-2(1H)-carboxylat | C15H21NO3

tert-Butyl-1-(hydroxymethyl)-3,4-dihydroisochinolin-2(1H)-carboxylat

  • Molecular FormulaC15H21NO3
  • Average mass263.332 Da
  • Monoisotopic mass263.152130 Da
  • ChemSpider ID23078420

More details:

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

1-(Hydroxyméthyl)-3,4-dihydro-2(1H)-isoquinoléinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-1-(hydroxymethyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 1-(hydroxymethyl)-3,4-dihydro-2(1H)-isoquinolinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-1-(hydroxymethyl)-3,4-dihydro-2(1H)-isochinolincarboxylat [German] [ACD/IUPAC Name]
3,4-Dihydro-1-(hydroxymethyl)-2(1H)-isoquinolinecarboxylic acid 1,1-dimethylethyl ester
954239-58-8 [RN]
tert-butyl 1-(hydroxymethyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
tert-Butyl-1-(hydroxymethyl)-3,4-dihydroisochinolin-2(1H)-carboxylat
[954239-58-8] [RN]
1-Hydroxymethyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 392.9±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 67.8±3.0 kJ/mol
    Flash Point: 191.4±25.9 °C
    Index of Refraction: 1.539
    Molar Refractivity: 73.0±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.24
    ACD/LogD (pH 5.5): 2.93
    ACD/BCF (pH 5.5): 98.69
    ACD/KOC (pH 5.5): 931.35
    ACD/LogD (pH 7.4): 2.93
    ACD/BCF (pH 7.4): 98.69
    ACD/KOC (pH 7.4): 931.35
    Polar Surface Area: 50 Å2
    Polarizability: 29.0±0.5 10-24cm3
    Surface Tension: 42.8±3.0 dyne/cm
    Molar Volume: 233.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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