ChemSpider 2D Image | 2-Methyl-2-propanyl 4-(2-amino-3-methylbenzoyl)-1-piperazinecarboxylate | C17H25N3O3

2-Methyl-2-propanyl 4-(2-amino-3-methylbenzoyl)-1-piperazinecarboxylate

  • Molecular FormulaC17H25N3O3
  • Average mass319.399 Da
  • Monoisotopic mass319.189606 Da
  • ChemSpider ID29313881

More details:

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

1,1-Dimethylethyl 4-(2-amino-3-methylbenzoyl)-1-piperazinecarboxylate
1-Piperazinecarboxylic acid, 4-(2-amino-3-methylbenzoyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-(2-amino-3-methylbenzoyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(2-amino-3-methylbenzoyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-(2-Amino-3-méthylbenzoyl)-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
T6N DNTJ AVOX1&1&1 DVR BZ C1 [WLN]
1379527-01-1 [RN]
DG-0700
tert-butyl 4-(2-amino-3-methylbenzoyl)piperazine-1-carboxylate
tertbutylaminomethylphenylcarbonylpiperazinecarboxylate

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 497.2±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 76.5±3.0 kJ/mol
    Flash Point: 254.5±28.7 °C
    Index of Refraction: 1.571
    Molar Refractivity: 89.1±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.28
    ACD/LogD (pH 5.5): 2.05
    ACD/BCF (pH 5.5): 21.18
    ACD/KOC (pH 5.5): 309.43
    ACD/LogD (pH 7.4): 2.05
    ACD/BCF (pH 7.4): 21.19
    ACD/KOC (pH 7.4): 309.67
    Polar Surface Area: 76 Å2
    Polarizability: 35.3±0.5 10-24cm3
    Surface Tension: 49.8±3.0 dyne/cm
    Molar Volume: 271.3±3.0 cm3

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