ChemSpider 2D Image | ({[(2H-1,3-benzodioxol-5-ylmethyl)carbamoyl]methyl}(phenyl)amino)acetic acid | C18H18N2O5

({[(2H-1,3-benzodioxol-5-ylmethyl)carbamoyl]methyl}(phenyl)amino)acetic acid

  • Molecular FormulaC18H18N2O5
  • Average mass342.346 Da
  • Monoisotopic mass342.121582 Da
  • ChemSpider ID21800953

More details:

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

({[(2H-1,3-benzodioxol-5-ylmethyl)carbamoyl]methyl}(phenyl)amino)acetic acid
[{2-[(1,3-Benzodioxol-5-ylmethyl)amino]-2-oxoethyl}(phenyl)amino]acetic acid [ACD/IUPAC Name]
[{2-[(1,3-Benzodioxol-5-ylmethyl)amino]-2-oxoethyl}(phenyl)amino]essigsäure [German] [ACD/IUPAC Name]
1142204-62-3 [RN]
2-[({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)(phenyl)amino]acetic acid
Acetic acid, 2-[[2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethyl]phenylamino]- [ACD/Index Name]
Acide [{2-[(1,3-benzodioxol-5-ylméthyl)amino]-2-oxoéthyl}(phényl)amino]acétique [French] [ACD/IUPAC Name]
[(2-[(1,3-BENZODIOXOL-5-YLMETHYL)AMINO]-2-OXOETHYL)(PHENYL)AMINO]ACETIC ACID
[{2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethyl}(phenyl)amino]aceticacid
[1142204-62-3] [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 633.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 98.5±3.0 kJ/mol
    Flash Point: 337.2±31.5 °C
    Index of Refraction: 1.644
    Molar Refractivity: 90.3±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.07
    ACD/LogD (pH 5.5): 0.71
    ACD/BCF (pH 5.5): 1.03
    ACD/KOC (pH 5.5): 15.96
    ACD/LogD (pH 7.4): -1.07
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 88 Å2
    Polarizability: 35.8±0.5 10-24cm3
    Surface Tension: 66.1±3.0 dyne/cm
    Molar Volume: 249.4±3.0 cm3

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