ChemSpider 2D Image | [({[2-(CYCLOHEX-1-EN-1-YL)ETHYL]CARBAMOYL}METHYL)(PHENYL)AMINO]ACETIC ACID | C18H24N2O3

[({[2-(CYCLOHEX-1-EN-1-YL)ETHYL]CARBAMOYL}METHYL)(PHENYL)AMINO]ACETIC ACID

  • Molecular FormulaC18H24N2O3
  • Average mass316.395 Da
  • Monoisotopic mass316.178680 Da
  • ChemSpider ID21800968

More details:

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

[({[2-(CYCLOHEX-1-EN-1-YL)ETHYL]CARBAMOYL}METHYL)(PHENYL)AMINO]ACETIC ACID
[(2-{[2-(1-Cyclohexen-1-yl)ethyl]amino}-2-oxoethyl)(phenyl)amino]acetic acid [ACD/IUPAC Name]
[(2-{[2-(1-Cyclohexen-1-yl)ethyl]amino}-2-oxoethyl)(phenyl)amino]essigsäure [German] [ACD/IUPAC Name]
1142204-89-4 [RN]
2-[({[2-(CYCLOHEX-1-EN-1-YL)ETHYL]CARBAMOYL}METHYL)(PHENYL)AMINO]ACETIC ACID
Acetic acid, 2-[[2-[[2-(1-cyclohexen-1-yl)ethyl]amino]-2-oxoethyl]phenylamino]- [ACD/Index Name]
Acide [(2-{[2-(1-cyclohexén-1-yl)éthyl]amino}-2-oxoéthyl)(phényl)amino]acétique [French] [ACD/IUPAC Name]
[(2-[(2-CYCLOHEX-1-EN-1-YLETHYL)AMINO]-2-OXOETHYL)(PHENYL)AMINO]ACETIC ACID
[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)(phenyl)amino]acetic acid
[{2-[(2-Cyclohex-1-en-1-ylethyl)amino]-2-oxoethyl}(phenyl)amino]acetic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 565.9±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 89.4±3.0 kJ/mol
    Flash Point: 296.0±28.7 °C
    Index of Refraction: 1.584
    Molar Refractivity: 89.6±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 3.28
    ACD/LogD (pH 5.5): 1.96
    ACD/BCF (pH 5.5): 9.19
    ACD/KOC (pH 5.5): 76.53
    ACD/LogD (pH 7.4): 0.18
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.29
    Polar Surface Area: 70 Å2
    Polarizability: 35.5±0.5 10-24cm3
    Surface Tension: 52.5±3.0 dyne/cm
    Molar Volume: 267.8±3.0 cm3

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