ChemSpider 2D Image | (S)-N1-Boc-3-phenyl-1,2-propanediamine | C14H22N2O2


  • Molecular FormulaC14H22N2O2
  • Average mass250.337 Da
  • Monoisotopic mass250.168121 Da
  • ChemSpider ID28295571
  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(2S)-2-Amino-3-phénylpropyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
167298-44-4 [RN]
2-Methyl-2-propanyl [(2S)-2-amino-3-phenylpropyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2S)-2-amino-3-phenylpropyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(2S)-2-amino-3-phenylpropyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
((S)-2-Amino-3-phenyl-propyl)-carbamic acid tert-butyl ester
(2-Amino-2-phenyl-ethyl)-carbamic acid tert-butyl ester
(S)-(2-Amino-3-phenyl-propyl)-carbamic acid tert-butyl ester

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

  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-28226]
    • Safety:

      20/21/22 Novochemy [NC-28226]
      20/21/36/37/39 Novochemy [NC-28226]
      GHS07; GHS09 Novochemy [NC-28226]
      H332; H403 Novochemy [NC-28226]
      P332+P313; P305+P351+P338 Novochemy [NC-28226]
      R22 Novochemy [NC-28226]
      Warning Novochemy [NC-28226]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 392.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.2±3.0 kJ/mol
Flash Point: 190.9±25.9 °C
Index of Refraction: 1.521
Molar Refractivity: 72.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.65
ACD/LogD (pH 5.5): -0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.36
ACD/BCF (pH 7.4): 3.46
ACD/KOC (pH 7.4): 41.35
Polar Surface Area: 64 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 237.7±3.0 cm3

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