ChemSpider 2D Image | tert-Butyl 3-[(pyridin-4-ylmethyl)amino]pyrrolidine-1-carboxylate | C15H23N3O2

tert-Butyl 3-[(pyridin-4-ylmethyl)amino]pyrrolidine-1-carboxylate

  • Molecular FormulaC15H23N3O2
  • Average mass277.362 Da
  • Monoisotopic mass277.179016 Da
  • ChemSpider ID21373617

More details:

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

1-Pyrrolidinecarboxylic acid, 3-[(4-pyridinylmethyl)amino]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-[(4-pyridinylmethyl)amino]-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-[(4-pyridinylmethyl)amino]-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
3-[(4-Pyridinylméthyl)amino]-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
886364-95-0 [RN]
tert-Butyl 3-[(pyridin-4-ylmethyl)amino]pyrrolidine-1-carboxylate
tert-Butyl 3-{[(pyridin-4-yl)methyl]amino}pyrrolidine-1-carboxylate
[886364-95-0] [RN]
1-Boc-3-N-(pyridin-4-ylmethyl)aminopyrrolidine
1-Boc-3-N-(Pyridin-4-ylmethyl)-amino-pyrrolidine
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 403.7±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.5±3.0 kJ/mol
    Flash Point: 198.0±27.3 °C
    Index of Refraction: 1.547
    Molar Refractivity: 78.2±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.02
    ACD/LogD (pH 5.5): -0.34
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.66
    ACD/LogD (pH 7.4): 1.36
    ACD/BCF (pH 7.4): 5.02
    ACD/KOC (pH 7.4): 82.92
    Polar Surface Area: 54 Å2
    Polarizability: 31.0±0.5 10-24cm3
    Surface Tension: 46.7±5.0 dyne/cm
    Molar Volume: 246.6±5.0 cm3

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