ChemSpider 2D Image | Methallylescaline | C14H21NO3

Methallylescaline

  • Molecular FormulaC14H21NO3
  • Average mass251.321 Da
  • Monoisotopic mass251.152145 Da
  • ChemSpider ID21106346

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

2-[3,5-Dimethoxy-4-(2-methyl-allyloxy)-phenyl]-ethylamine
2-{3,5-Dimethoxy-4-[(2-methyl-2-propen-1-yl)oxy]phenyl}ethanamin [German] [ACD/IUPAC Name]
2-{3,5-Dimethoxy-4-[(2-methyl-2-propen-1-yl)oxy]phenyl}ethanamine [ACD/IUPAC Name]
2-{3,5-Diméthoxy-4-[(2-méthyl-2-propén-1-yl)oxy]phényl}éthanamine [French] [ACD/IUPAC Name]
2-{3,5-dimethoxy-4-[(2-methylprop-2-en-1-yl)oxy]phenyl}ethanamine [ACD/IUPAC Name]
207740-41-8 [RN]
3,5-Dimethoxy-4-[(2-methyl-2-propen-1-yl)oxy]benzeneethanamine
4-methallyloxy-3,5-dimethoxyphenethylamine
Benzeneethanamine, 3,5-dimethoxy-4-[(2-methyl-2-propen-1-yl)oxy]- [ACD/Index Name]
Methallylescaline [Wiki]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 363.1±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.9±3.0 kJ/mol
    Flash Point: 174.4±20.2 °C
    Index of Refraction: 1.513
    Molar Refractivity: 72.8±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.26
    ACD/LogD (pH 5.5): -1.23
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.32
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.67
    Polar Surface Area: 54 Å2
    Polarizability: 28.9±0.5 10-24cm3
    Surface Tension: 34.5±3.0 dyne/cm
    Molar Volume: 242.4±3.0 cm3

    Click to predict properties on the Chemicalize site






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