ChemSpider 2D Image | tert-Butyl N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]carbamate | C9H18N2O3

tert-Butyl N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]carbamate

  • Molecular FormulaC9H18N2O3
  • Average mass202.251 Da
  • Monoisotopic mass202.131744 Da
  • ChemSpider ID25948305
  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(3S,4S)-4-Hydroxy-3-pyrrolidinyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(3S,4S)-4-hydroxy-3-pyrrolidinyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(3S,4S)-4-hydroxy-3-pyrrolidinyl]carbamat [German] [ACD/IUPAC Name]
870632-91-0 [RN]
Carbamic acid, N-[(3S,4S)-4-hydroxy-3-pyrrolidinyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-Butyl N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]carbamate
(3S,4S)-(4-Hydroxy-pyrrolidin-3-yl)-carbamic acid tert-butyl ester
[(3s,4s)-4-hydroxypyrrolidin-3-yl]carbamic acid tert-butyl ester

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

  • Miscellaneous
    • Appearance:

      White Powder Novochemy [NC-20309]
    • Safety:

      20/21/36/37/39 Novochemy [NC-20309]
      36/37/38 Novochemy [NC-20309]
      GHS07; GHS09 Novochemy [NC-20309]
      H304; H332 Novochemy [NC-20309]
      P309+P311; P211; P242 Novochemy [NC-20309]
      R22 Novochemy [NC-20309]
      Warning Novochemy [NC-20309]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 349.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 68.8±6.0 kJ/mol
Flash Point: 165.3±27.9 °C
Index of Refraction: 1.503
Molar Refractivity: 52.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.17
ACD/LogD (pH 5.5): -2.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 71 Å2
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 42.6±5.0 dyne/cm
Molar Volume: 177.0±5.0 cm3

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