ChemSpider 2D Image | [(2S,4R,5R)-5-(4-Chlorophenyl)-1-ethyl-2-methyl-4-{[(4-pyridinylmethyl)amino]methyl}-2-pyrrolidinyl]methanol | C21H28ClN3O

[(2S,4R,5R)-5-(4-Chlorophenyl)-1-ethyl-2-methyl-4-{[(4-pyridinylmethyl)amino]methyl}-2-pyrrolidinyl]methanol

  • Molecular FormulaC21H28ClN3O
  • Average mass373.919 Da
  • Monoisotopic mass373.192078 Da
  • ChemSpider ID22835806

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(2S,4R,5R)-5-(4-Chlorophenyl)-1-ethyl-2-methyl-4-{[(4-pyridinylmethyl)amino]methyl}-2-pyrrolidinyl]methanol [ACD/IUPAC Name]
[(2S,4R,5R)-5-(4-Chlorophényl)-1-éthyl-2-méthyl-4-{[(4-pyridinylméthyl)amino]méthyl}-2-pyrrolidinyl]méthanol [French] [ACD/IUPAC Name]
[(2S,4R,5R)-5-(4-Chlorphenyl)-1-ethyl-2-methyl-4-{[(4-pyridinylmethyl)amino]methyl}-2-pyrrolidinyl]methanol [German] [ACD/IUPAC Name]
2-Pyrrolidinemethanol, 5-(4-chlorophenyl)-1-ethyl-2-methyl-4-[[(4-pyridinylmethyl)amino]methyl]-, (2S,4R,5R)- [ACD/Index Name]
((2S*,4R*,5R*)-5-(4-chlorophenyl)-1-ethyl-2-methyl-4-{[(4-pyridinylmethyl)amino]methyl}-2-pyrrolidinyl)methanol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 503.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.4±3.0 kJ/mol
Flash Point: 258.3±30.1 °C
Index of Refraction: 1.560
Molar Refractivity: 107.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.41
ACD/LogD (pH 5.5): -0.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.44
ACD/BCF (pH 7.4): 3.00
ACD/KOC (pH 7.4): 26.44
Polar Surface Area: 48 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 330.8±3.0 cm3

Click to predict properties on the Chemicalize site


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