ChemSpider 2D Image | 3-[(2S)-2-Methyl-1-piperidinyl]propyl 4-(cyclohexyloxy)benzoate | C22H33NO3

3-[(2S)-2-Methyl-1-piperidinyl]propyl 4-(cyclohexyloxy)benzoate

  • Molecular FormulaC22H33NO3
  • Average mass359.502 Da
  • Monoisotopic mass359.246033 Da
  • ChemSpider ID34988863

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-[(2S)-2-Methyl-1-piperidinyl]propyl 4-(cyclohexyloxy)benzoate [ACD/IUPAC Name]
3-[(2S)-2-Methyl-1-piperidinyl]propyl-4-(cyclohexyloxy)benzoat [German] [ACD/IUPAC Name]
4-(Cyclohexyloxy)benzoate de 3-[(2S)-2-méthyl-1-pipéridinyl]propyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(cyclohexyloxy)-, 3-[(2S)-2-methyl-1-piperidinyl]propyl ester [ACD/Index Name]
139-62-8 [RN]
cyclomethycaine [INN]
UNII-15E9I74NZ8

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

9WO7GB000R [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 486.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.2±3.0 kJ/mol
Flash Point: 248.0±23.2 °C
Index of Refraction: 1.525
Molar Refractivity: 104.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.45
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 9.01
ACD/KOC (pH 5.5): 23.02
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 105.36
ACD/KOC (pH 7.4): 269.33
Polar Surface Area: 39 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 340.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement