ChemSpider 2D Image | tert-Butyl 3-{[(6-bromopyridin-2-yl)amino]methyl}piperidine-1-carboxylate | C16H24BrN3O2

tert-Butyl 3-{[(6-bromopyridin-2-yl)amino]methyl}piperidine-1-carboxylate

  • Molecular FormulaC16H24BrN3O2
  • Average mass370.285 Da
  • Monoisotopic mass369.105194 Da
  • ChemSpider ID27457503

More details:

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

1,1-Dimethylethyl 3-[[(6-bromo-2-pyridinyl)amino]methyl]-1-piperidinecarboxylate
1065484-38-9 [RN]
1-Piperidinecarboxylic acid, 3-[[(6-bromo-2-pyridinyl)amino]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-{[(6-bromo-2-pyridinyl)amino]methyl}-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-{[(6-brom-2-pyridinyl)amino]methyl}-1-piperidincarboxylat [German] [ACD/IUPAC Name]
3-{[(6-Bromo-2-pyridinyl)amino]méthyl}-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 3-{[(6-bromopyridin-2-yl)amino]methyl}piperidine-1-carboxylate
3-(((6-bromo-2-pyridinyl)amino)methyl)-1-piperidinecarboxylic acid tert-butyl ester
3-[(6-Bromo-pyridin-2-ylamino)-methyl ]-piperidine-1-carboxylic acid tert-butyl ester
3-[(6-Bromopyridin-2-ylamino)methyl]piperidine-1-carboxylic acid tert-butyl ester
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 468.9±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 73.1±3.0 kJ/mol
    Flash Point: 237.4±24.6 °C
    Index of Refraction: 1.567
    Molar Refractivity: 91.1±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.76
    ACD/LogD (pH 5.5): 3.90
    ACD/BCF (pH 5.5): 544.44
    ACD/KOC (pH 5.5): 3158.76
    ACD/LogD (pH 7.4): 3.90
    ACD/BCF (pH 7.4): 546.53
    ACD/KOC (pH 7.4): 3170.88
    Polar Surface Area: 54 Å2
    Polarizability: 36.1±0.5 10-24cm3
    Surface Tension: 48.4±3.0 dyne/cm
    Molar Volume: 279.0±3.0 cm3

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