ChemSpider 2D Image | TERT-BUTYL 4-(2-NITROBENZENESULFONAMIDO)PIPERIDINE-1-CARBOXYLATE | C16H23N3O6S

TERT-BUTYL 4-(2-NITROBENZENESULFONAMIDO)PIPERIDINE-1-CARBOXYLATE

  • Molecular FormulaC16H23N3O6S
  • Average mass385.435 Da
  • Monoisotopic mass385.130768 Da
  • ChemSpider ID26497941

More details:

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

1-Piperidinecarboxylic acid, 4-[[(2-nitrophenyl)sulfonyl]amino]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-{[(2-nitrophenyl)sulfonyl]amino}-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-{[(2-nitrophenyl)sulfonyl]amino}-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-{[(2-Nitrophényl)sulfonyl]amino}-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
800401-92-7 [RN]
TERT-BUTYL 4-(2-NITROBENZENESULFONAMIDO)PIPERIDINE-1-CARBOXYLATE
KS-5895
MFCD14156055
tert-Butyl 4-(2-nitrophenylsulfonamido)piperidine-1-carboxylate

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 532.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 80.8±3.0 kJ/mol
    Flash Point: 275.8±32.9 °C
    Index of Refraction: 1.585
    Molar Refractivity: 95.2±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.32
    ACD/LogD (pH 5.5): 2.71
    ACD/BCF (pH 5.5): 67.84
    ACD/KOC (pH 5.5): 712.19
    ACD/LogD (pH 7.4): 2.71
    ACD/BCF (pH 7.4): 67.77
    ACD/KOC (pH 7.4): 711.43
    Polar Surface Area: 130 Å2
    Polarizability: 37.8±0.5 10-24cm3
    Surface Tension: 58.5±5.0 dyne/cm
    Molar Volume: 284.2±5.0 cm3

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