ChemSpider 2D Image | [(4-METHOXYPHENYL)({[(PYRIDIN-3-YLMETHYL)CARBAMOYL]METHYL})AMINO]ACETIC ACID | C17H19N3O4

[(4-METHOXYPHENYL)({[(PYRIDIN-3-YLMETHYL)CARBAMOYL]METHYL})AMINO]ACETIC ACID

  • Molecular FormulaC17H19N3O4
  • Average mass329.350 Da
  • Monoisotopic mass329.137543 Da
  • ChemSpider ID21800927

More details:

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

[(4-METHOXYPHENYL)({[(PYRIDIN-3-YLMETHYL)CARBAMOYL]METHYL})AMINO]ACETIC ACID
[(4-Methoxyphenyl){2-oxo-2-[(3-pyridinylmethyl)amino]ethyl}amino]acetic acid [ACD/IUPAC Name]
[(4-Methoxyphenyl){2-oxo-2-[(3-pyridinylmethyl)amino]ethyl}amino]essigsäure [German] [ACD/IUPAC Name]
1142215-99-3 [RN]
2-[(4-METHOXYPHENYL)({[(PYRIDIN-3-YL)METHYL]CARBAMOYL}METHYL)AMINO]ACETIC ACID
Acetic acid, 2-[(4-methoxyphenyl)[2-oxo-2-[(3-pyridinylmethyl)amino]ethyl]amino]- [ACD/Index Name]
Acide [(4-méthoxyphényl){2-oxo-2-[(3-pyridinylméthyl)amino]éthyl}amino]acétique [French] [ACD/IUPAC Name]
((4-METHOXYPHENYL)(2-OXO-2-[(PYRIDIN-3-YLMETHYL)-AMINO]ETHYL)AMINO)ACETIC ACID
((4-methoxyphenyl){2-oxo-2-[(pyridin-3-ylmethyl)amino]ethyl}amino)acetic acid
((4-Methoxyphenyl){2-oxo-2-[(pyridin-3-ylmethyl)-amino]ethyl}amino)acetic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 652.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 101.0±3.0 kJ/mol
    Flash Point: 348.2±31.5 °C
    Index of Refraction: 1.613
    Molar Refractivity: 88.9±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: -0.19
    ACD/LogD (pH 5.5): -0.76
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.92
    ACD/LogD (pH 7.4): -2.42
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 92 Å2
    Polarizability: 35.2±0.5 10-24cm3
    Surface Tension: 58.5±3.0 dyne/cm
    Molar Volume: 255.4±3.0 cm3

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