ChemSpider 2D Image | (S)-tert-Butyl 1-(3-nitropyridin-2-yl)pyrrolidin-3-ylcarbamate | C14H20N4O4

(S)-tert-Butyl 1-(3-nitropyridin-2-yl)pyrrolidin-3-ylcarbamate

  • Molecular FormulaC14H20N4O4
  • Average mass308.333 Da
  • Monoisotopic mass308.148468 Da
  • ChemSpider ID26498053

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-tert-Butyl 1-(3-nitropyridin-2-yl)pyrrolidin-3-ylcarbamate
[(3S)-1-(3-Nitro-2-pyridinyl)-3-pyrrolidinyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1,1-Dimethylethyl N-[(3S)-1-(3-nitro-2-pyridinyl)-3-pyrrolidinyl]carbamate
1233860-11-1 [RN]
2-Methyl-2-propanyl [(3S)-1-(3-nitro-2-pyridinyl)-3-pyrrolidinyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(3S)-1-(3-nitro-2-pyridinyl)-3-pyrrolidinyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(3S)-1-(3-nitro-2-pyridinyl)-3-pyrrolidinyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
(S)-tert-butyl (1-(3-nitropyridin-2-yl)pyrrolidin-3-yl)carbamate
KS-5494
MFCD17014045
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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: 474.4±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 73.8±3.0 kJ/mol
    Flash Point: 240.7±28.7 °C
    Index of Refraction: 1.573
    Molar Refractivity: 79.6±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.82
    ACD/LogD (pH 5.5): 2.57
    ACD/BCF (pH 5.5): 52.44
    ACD/KOC (pH 5.5): 591.84
    ACD/LogD (pH 7.4): 2.57
    ACD/BCF (pH 7.4): 52.60
    ACD/KOC (pH 7.4): 593.55
    Polar Surface Area: 100 Å2
    Polarizability: 31.6±0.5 10-24cm3
    Surface Tension: 56.2±5.0 dyne/cm
    Molar Volume: 241.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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