ChemSpider 2D Image | (1-Methyl-1,4,5,6-tetrahydro-2-pyrimidinyl)methyl (2S)-cyclohexyl(hydroxy)phenylacetate | C20H28N2O3

(1-Methyl-1,4,5,6-tetrahydro-2-pyrimidinyl)methyl (2S)-cyclohexyl(hydroxy)phenylacetate

  • Molecular FormulaC20H28N2O3
  • Average mass344.448 Da
  • Monoisotopic mass344.209991 Da
  • ChemSpider ID32809581

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1-Methyl-1,4,5,6-tetrahydro-2-pyrimidinyl)methyl (2S)-cyclohexyl(hydroxy)phenylacetate [ACD/IUPAC Name]
(1-Methyl-1,4,5,6-tetrahydro-2-pyrimidinyl)methyl-(2S)-cyclohexyl(hydroxy)phenylacetat [German] [ACD/IUPAC Name]
(2S)-Cyclohexyl(hydroxy)phénylacétate de (1-méthyl-1,4,5,6-tétrahydro-2-pyrimidinyl)méthyle [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-cyclohexyl-α-hydroxy-, (1,4,5,6-tetrahydro-1-methyl-2-pyrimidinyl)methyl ester, (αS)- [ACD/Index Name]
125-53-1 [RN]
204-743-3 [EINECS]
Oxyphencyclimine [Wiki]
UNII-4V44H1O8XI

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

Density: 1.2±0.1 g/cm3
Boiling Point: 528.2±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 273.2±26.8 °C
Index of Refraction: 1.587
Molar Refractivity: 97.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.69
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 13.20
ACD/KOC (pH 5.5): 59.60
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 13.59
ACD/KOC (pH 7.4): 61.38
Polar Surface Area: 62 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 45.7±7.0 dyne/cm
Molar Volume: 290.0±7.0 cm3

Click to predict properties on the Chemicalize site


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