ChemSpider 2D Image | tert-butyl N-[(1S,3R)-3-[(2-hydroxyethyl)amino]cyclohexyl]carbamate | C13H26N2O3

tert-butyl N-[(1S,3R)-3-[(2-hydroxyethyl)amino]cyclohexyl]carbamate

  • Molecular FormulaC13H26N2O3
  • Average mass258.357 Da
  • Monoisotopic mass258.194336 Da
  • ChemSpider ID23499549
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

1260590-55-3 [RN]
tert-butyl N-[(1S,3R)-3-[(2-hydroxyethyl)amino]cyclohexyl]carbamate
1245647-72-6 [RN]
tert-butyl ((1S,3R)-3-((2-hydroxyethyl)amino)cyclohexyl)carbamate
tert-Butyl (1S,3R)-3-(2-hydroxyethylamino)cyclohexylcarbamate

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

CCRIS 4693 [DBID]
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-19936]
    • Safety:

      20/21/22 Novochemy [NC-19936]
      20/21/36/37/39 Novochemy [NC-19936]
      GHS07; GHS09 Novochemy [NC-19936]
      H332; H403 Novochemy [NC-19936]
      P332+P313; P305+P351+P338 Novochemy [NC-19936]
      Warning Novochemy [NC-19936]
      Xn Novochemy [NC-19936]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 418.8±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.7±6.0 kJ/mol
Flash Point: 207.1±26.8 °C
Index of Refraction: 1.497
Molar Refractivity: 70.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.18
ACD/LogD (pH 5.5): -1.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.50
Polar Surface Area: 71 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 40.8±5.0 dyne/cm
Molar Volume: 242.3±5.0 cm3

Click to predict properties on the Chemicalize site






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