ChemSpider 2D Image | tert-Butyl trans-4-(2-oxoethyl)cyclohexylcarbamate | C13H23NO3

tert-Butyl trans-4-(2-oxoethyl)cyclohexylcarbamate

  • Molecular FormulaC13H23NO3
  • Average mass241.327 Da
  • Monoisotopic mass241.167801 Da
  • ChemSpider ID24751772

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[trans-4-(2-Oxoéthyl)cyclohexyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
215790-29-7 [RN]
2-Methyl-2-propanyl [trans-4-(2-oxoethyl)cyclohexyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[trans-4-(2-oxoethyl)cyclohexyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[trans-4-(2-oxoethyl)cyclohexyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-Butyl trans-4-(2-oxoethyl)cyclohexylcarbamate
[215790-29-7] [RN]
100073-15-2 [RN]
CARBAMIC ACID,N-[TRANS-4-(2-OXOETHYL)CYCLOHEXYL]-, 1,1-DIMETHYLETHYL ESTER
cariprazine int
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  • Miscellaneous

    • Safety:

      26-37-60 Alfa Aesar H62373
      36/37/38 Alfa Aesar H62373
      H315-H319-H335 Alfa Aesar H62373
      P261-P280-P305+P351+P338-P304+P340-P405-P501a Alfa Aesar H62373
      Warning Alfa Aesar H62373

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

Density: 1.0±0.1 g/cm3
Boiling Point: 360.6±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.6±3.0 kJ/mol
Flash Point: 171.9±19.3 °C
Index of Refraction: 1.475
Molar Refractivity: 66.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.22
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 58.65
ACD/KOC (pH 5.5): 641.70
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 58.65
ACD/KOC (pH 7.4): 641.69
Polar Surface Area: 55 Å2
Polarizability: 26.2±0.5 10-24cm3
Surface Tension: 36.5±5.0 dyne/cm
Molar Volume: 234.4±5.0 cm3

Click to predict properties on the Chemicalize site


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