ChemSpider 2D Image | tert-butyl N-[4-[(2-chloropyrimidin-4-yl)amino]cyclohexyl]carbamate | C15H23ClN4O2

tert-butyl N-[4-[(2-chloropyrimidin-4-yl)amino]cyclohexyl]carbamate

  • Molecular FormulaC15H23ClN4O2
  • Average mass326.822 Da
  • Monoisotopic mass326.150940 Da
  • ChemSpider ID27458658

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1r,4r)-[4-(2-Chloro-pyrimidin-4-ylamino)-cyclohexyl]-carbamic acid tert-butyl ester
(1R,4R)-[4-(2-Chloropyrimidin-4-ylamino)cyclohexyl]carbamic acid tert-butyl ester
(tert-butoxy)-N-{4-[(2-chloropyrimidin-4-yl)amino]cyclohexyl}carboxamide
{trans-4-[(2-Chloro-4-pyrimidinyl)amino]cyclohexyl}carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1289386-80-6 [RN]
2-Methyl-2-propanyl {trans-4-[(2-chloro-4-pyrimidinyl)amino]cyclohexyl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{trans-4-[(2-chlor-4-pyrimidinyl)amino]cyclohexyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[trans-4-[(2-chloro-4-pyrimidinyl)amino]cyclohexyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
MFCD18837646
tert-Butyl ((1r,4r)-4-((2-chloropyrimidin-4-yl)amino)cyclohexyl)carbamate
More...

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

Density: 1.2±0.1 g/cm3
Boiling Point: 516.5±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.9±3.0 kJ/mol
Flash Point: 266.2±28.2 °C
Index of Refraction: 1.547
Molar Refractivity: 85.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 157.06
ACD/KOC (pH 5.5): 1298.07
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 157.37
ACD/KOC (pH 7.4): 1300.65
Polar Surface Area: 76 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 268.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement