ChemSpider 2D Image | (3S)-1-Methyl-3-{[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]methyl}pyrrolidine | C21H25N

(3S)-1-Methyl-3-{[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]methyl}pyrrolidine

  • Molecular FormulaC21H25N
  • Average mass291.430 Da
  • Monoisotopic mass291.198700 Da
  • ChemSpider ID34994301

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3S)-1-Methyl-3-{[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]methyl}pyrrolidin [German] [ACD/IUPAC Name]
(3S)-1-Methyl-3-{[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]methyl}pyrrolidine [ACD/IUPAC Name]
(3S)-1-Méthyl-3-{[(1S,3S)-3-phényl-2,3-dihydro-1H-indén-1-yl]méthyl}pyrrolidine [French] [ACD/IUPAC Name]
Pyrrolidine, 3-[[(1S,3S)-2,3-dihydro-3-phenyl-1H-inden-1-yl]methyl]-1-methyl-, (3S)- [ACD/Index Name]
7009-69-0 [RN]
pyrophenindane
UNII-TYG45UE07V

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

Density: 1.1±0.1 g/cm3
Boiling Point: 405.2±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.7±3.0 kJ/mol
Flash Point: 177.4±17.0 °C
Index of Refraction: 1.583
Molar Refractivity: 92.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.10
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 4.43
ACD/KOC (pH 5.5): 13.34
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 9.22
ACD/KOC (pH 7.4): 27.75
Polar Surface Area: 3 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 276.1±3.0 cm3

Click to predict properties on the Chemicalize site


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