ChemSpider 2D Image | BOC-L-ALA-NITRILE | C8H14N2O2

BOC-L-ALA-NITRILE

  • Molecular FormulaC8H14N2O2
  • Average mass170.209 Da
  • Monoisotopic mass170.105530 Da
  • ChemSpider ID18670665

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

130013-83-1 [RN]
BOC-L-ALA-NITRILE
tert-butyl N-[(1S)-1-cyanoethyl]carbamate
(S)-N-BOC-Alaninenitrile
(S)-tert-butyl (1-cyanoethyl)carbamate
(S)-tert-Butyl 1-cyanoethylcarbamate
[130013-83-1] [RN]
95%
Carbamic acid, N-[(1S)-1-cyanoethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
MFCD03094747
More...

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 276.9±23.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 51.5±3.0 kJ/mol
    Flash Point: 121.3±22.6 °C
    Index of Refraction: 1.444
    Molar Refractivity: 44.3±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.94
    ACD/LogD (pH 5.5): 0.96
    ACD/BCF (pH 5.5): 3.19
    ACD/KOC (pH 5.5): 79.80
    ACD/LogD (pH 7.4): 0.96
    ACD/BCF (pH 7.4): 3.18
    ACD/KOC (pH 7.4): 79.66
    Polar Surface Area: 62 Å2
    Polarizability: 17.6±0.5 10-24cm3
    Surface Tension: 34.5±3.0 dyne/cm
    Molar Volume: 166.7±3.0 cm3

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