ChemSpider 2D Image | {[2-(4-Methyl-1,4-diazepan-1-yl)-2-oxoethyl](phenyl)amino}acetic acid | C16H23N3O3

{[2-(4-Methyl-1,4-diazepan-1-yl)-2-oxoethyl](phenyl)amino}acetic acid

  • Molecular FormulaC16H23N3O3
  • Average mass305.372 Da
  • Monoisotopic mass305.173950 Da
  • ChemSpider ID21801063

More details:

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

{[2-(4-Methyl-1,4-diazepan-1-yl)-2-oxoethyl](phenyl)amino}acetic acid [ACD/IUPAC Name]
{[2-(4-Methyl-1,4-diazepan-1-yl)-2-oxoethyl](phenyl)amino}essigsäure [German] [ACD/IUPAC Name]
1142212-05-2 [RN]
2-{[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl](phenyl)amino}acetic acid
Acetic acid, 2-[[2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-2-oxoethyl]phenylamino]- [ACD/Index Name]
Acide {[2-(4-méthyl-1,4-diazépan-1-yl)-2-oxoéthyl](phényl)amino}acétique [French] [ACD/IUPAC Name]
[[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl](phenyl)amino]acetic acid
[[2-(4-Methyl-1,4-diazepan-1-yl)-2-oxoethyl]-(phenyl)amino]acetic acid
[[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-(phenyl)amino]aceticacid
2-((2-(4-methyl-1,4-diazepan-1-yl)-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: 516.2±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 83.0±3.0 kJ/mol
    Flash Point: 266.0±30.1 °C
    Index of Refraction: 1.585
    Molar Refractivity: 84.2±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.55
    ACD/LogD (pH 5.5): -1.51
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.48
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 64 Å2
    Polarizability: 33.4±0.5 10-24cm3
    Surface Tension: 54.2±3.0 dyne/cm
    Molar Volume: 251.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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