ChemSpider 2D Image | tert-butyl 4-[(5-methyl-2-nitrophenyl)amino]piperidine-1-carboxylate | C17H25N3O4

tert-butyl 4-[(5-methyl-2-nitrophenyl)amino]piperidine-1-carboxylate

  • Molecular FormulaC17H25N3O4
  • Average mass335.398 Da
  • Monoisotopic mass335.184509 Da
  • ChemSpider ID26052577

More details:

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

1-Piperidinecarboxylic acid, 4-[(5-methyl-2-nitrophenyl)amino]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[(5-methyl-2-nitrophenyl)amino]-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[(5-methyl-2-nitrophenyl)amino]-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-[(5-Méthyl-2-nitrophényl)amino]-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
950772-97-1 [RN]
tert-butyl 4-[(5-methyl-2-nitrophenyl)amino]piperidine-1-carboxylate
[950772-97-1] [RN]
112022-81-8 [RN]
1-PIPERIDINECARBOXYLIC ACID,4-[(5-METHYL-2-NITROPHENYL)AMINO]-,1,1-DIMETHYLETHYL ESTER
GE-0022
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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: 483.6±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.9±3.0 kJ/mol
    Flash Point: 246.3±28.7 °C
    Index of Refraction: 1.577
    Molar Refractivity: 92.0±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.75
    ACD/LogD (pH 5.5): 3.89
    ACD/BCF (pH 5.5): 531.89
    ACD/KOC (pH 5.5): 3109.89
    ACD/LogD (pH 7.4): 3.89
    ACD/BCF (pH 7.4): 531.90
    ACD/KOC (pH 7.4): 3109.93
    Polar Surface Area: 87 Å2
    Polarizability: 36.5±0.5 10-24cm3
    Surface Tension: 51.6±3.0 dyne/cm
    Molar Volume: 277.8±3.0 cm3

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