ChemSpider 2D Image | tert-Butyl 4-(4-nitrophenylsulfonamido)piperidine-1-carboxylate | C16H23N3O6S

tert-Butyl 4-(4-nitrophenylsulfonamido)piperidine-1-carboxylate

  • Molecular FormulaC16H23N3O6S
  • Average mass385.435 Da
  • Monoisotopic mass385.130768 Da
  • ChemSpider ID26497943

More details:

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

1233952-63-0 [RN]
1-Piperidinecarboxylic acid, 4-[[(4-nitrophenyl)sulfonyl]amino]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-{[(4-nitrophenyl)sulfonyl]amino}-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-{[(4-nitrophenyl)sulfonyl]amino}-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-{[(4-Nitrophényl)sulfonyl]amino}-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 4-(4-nitrophenylsulfonamido)piperidine-1-carboxylate
KS-5897
MFCD14156057
TERT-BUTYL 4-(4-NITROBENZENESULFONAMIDO)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: 531.8±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 80.7±3.0 kJ/mol
    Flash Point: 275.5±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: 2.50
    ACD/LogD (pH 5.5): 2.76
    ACD/BCF (pH 5.5): 74.04
    ACD/KOC (pH 5.5): 758.14
    ACD/LogD (pH 7.4): 2.76
    ACD/BCF (pH 7.4): 73.88
    ACD/KOC (pH 7.4): 756.58
    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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