ChemSpider 2D Image | tert-Butyl 4-[3-(benzylamino)-2-cyanophenyl]piperazine-1-carboxylate | C23H28N4O2

tert-Butyl 4-[3-(benzylamino)-2-cyanophenyl]piperazine-1-carboxylate

  • Molecular FormulaC23H28N4O2
  • Average mass392.494 Da
  • Monoisotopic mass392.221222 Da
  • ChemSpider ID26052679

More details:

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

1,1-Dimethylethyl 4-[2-cyano-3-[(phenylmethyl)amino]phenyl]-1-piperazinecarboxylate
1242268-05-8 [RN]
1-Piperazinecarboxylic acid, 4-[2-cyano-3-[(phenylmethyl)amino]phenyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[3-(benzylamino)-2-cyanophenyl]-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[3-(benzylamino)-2-cyanphenyl]-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-[3-(Benzylamino)-2-cyanophényl]-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 4-[3-(benzylamino)-2-cyanophenyl]piperazine-1-carboxylate
4-[3-(Benzylamino)-2-cyanophenyl]piperazine N1-BOC protected
4-[3-(Benzylamino)-2-cyanophenyl]piperazine, N1-BOC protected
4-[3-(Benzylamino)-2-cyanophenyl]piperazine,N1-BOC protected
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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: 583.3±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 87.2±3.0 kJ/mol
    Flash Point: 306.5±30.1 °C
    Index of Refraction: 1.611
    Molar Refractivity: 113.6±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 3.55
    ACD/LogD (pH 5.5): 3.78
    ACD/BCF (pH 5.5): 435.92
    ACD/KOC (pH 5.5): 2696.42
    ACD/LogD (pH 7.4): 3.78
    ACD/BCF (pH 7.4): 436.29
    ACD/KOC (pH 7.4): 2698.70
    Polar Surface Area: 69 Å2
    Polarizability: 45.0±0.5 10-24cm3
    Surface Tension: 56.4±5.0 dyne/cm
    Molar Volume: 327.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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