ChemSpider 2D Image | tert-butyl N-[(1R,2S,5S)-2-amino-5-(dimethylcarbamoyl)cyclohexyl]carbamate | C14H27N3O3

tert-butyl N-[(1R,2S,5S)-2-amino-5-(dimethylcarbamoyl)cyclohexyl]carbamate

  • Molecular FormulaC14H27N3O3
  • Average mass285.383 Da
  • Monoisotopic mass285.205231 Da
  • ChemSpider ID29785287

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(1R,2S,5S)-2-Amino-5-(diméthylcarbamoyl)cyclohexyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1,1-Dimethylethyl N-[(1R,2S,5S)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl]carbamate
2-Methyl-2-propanyl [(1R,2S,5S)-2-amino-5-(dimethylcarbamoyl)cyclohexyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(1R,2S,5S)-2-amino-5-(dimethylcarbamoyl)cyclohexyl]carbamat [German] [ACD/IUPAC Name]
365998-36-3 [RN]
Carbamic acid, N-[(1R,2S,5S)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl N-[(1R,2S,5S)-2-amino-5-(dimethylcarbamoyl)cyclohexyl]carbamate
(1S,2R,4S)-N2-(tert-butoxycarbonyl)-4-(N,N-dimethylcarbamoyl)-1,2-cyclohexanediamine
[365998-36-3] [RN]
Carbamic acid,[(1R,2S,5S)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl]-,1,1-dimethylethyl ester
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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: 434.4±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 69.0±3.0 kJ/mol
    Flash Point: 216.5±28.7 °C
    Index of Refraction: 1.508
    Molar Refractivity: 77.9±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.22
    ACD/LogD (pH 5.5): -2.60
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.09
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 85 Å2
    Polarizability: 30.9±0.5 10-24cm3
    Surface Tension: 42.4±5.0 dyne/cm
    Molar Volume: 261.2±5.0 cm3

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