ChemSpider 2D Image | 2-[(3S)-1-(2-Methylbenzyl)-3-pyrrolidinyl]-1,3-benzoxazole | C19H20N2O

2-[(3S)-1-(2-Methylbenzyl)-3-pyrrolidinyl]-1,3-benzoxazole

  • Molecular FormulaC19H20N2O
  • Average mass292.375 Da
  • Monoisotopic mass292.157562 Da
  • ChemSpider ID29849963

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-[(3S)-1-(2-Methylbenzyl)-3-pyrrolidinyl]-1,3-benzoxazol [German] [ACD/IUPAC Name]
2-[(3S)-1-(2-Methylbenzyl)-3-pyrrolidinyl]-1,3-benzoxazole [ACD/IUPAC Name]
2-[(3S)-1-(2-Méthylbenzyl)-3-pyrrolidinyl]-1,3-benzoxazole [French] [ACD/IUPAC Name]
Benzoxazole, 2-[(3S)-1-[(2-methylphenyl)methyl]-3-pyrrolidinyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 422.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.7±3.0 kJ/mol
Flash Point: 209.5±27.3 °C
Index of Refraction: 1.632
Molar Refractivity: 88.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 2.05
ACD/KOC (pH 5.5): 10.94
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 101.40
ACD/KOC (pH 7.4): 539.72
Polar Surface Area: 29 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 51.6±3.0 dyne/cm
Molar Volume: 248.7±3.0 cm3

Click to predict properties on the Chemicalize site


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