ChemSpider 2D Image | 1-[3-(3,4-Dihydro-2(1H)-isoquinolinyl)-1-pyrrolidinyl]-3,3-diphenyl-1-propanone | C28H30N2O

1-[3-(3,4-Dihydro-2(1H)-isoquinolinyl)-1-pyrrolidinyl]-3,3-diphenyl-1-propanone

  • Molecular FormulaC28H30N2O
  • Average mass410.551 Da
  • Monoisotopic mass410.235809 Da
  • ChemSpider ID35011749

More details:

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

1-[3-(3,4-Dihydro-2(1H)-isochinolinyl)-1-pyrrolidinyl]-3,3-diphenyl-1-propanon [German] [ACD/IUPAC Name]
1-[3-(3,4-Dihydro-2(1H)-isoquinoléinyl)-1-pyrrolidinyl]-3,3-diphényl-1-propanone [French] [ACD/IUPAC Name]
1-[3-(3,4-Dihydro-2(1H)-isoquinolinyl)-1-pyrrolidinyl]-3,3-diphenyl-1-propanone [ACD/IUPAC Name]
1-Propanone, 1-[3-(3,4-dihydro-2(1H)-isoquinolinyl)-1-pyrrolidinyl]-3,3-diphenyl- [ACD/Index Name]
1-(3-(3,4-dihydroisoquinolin-2(1H)-yl)pyrrolidin-1-yl)-3,3-diphenylpropan-1-one
2034526-93-5 [RN]
3,3-diphenyl-1-[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyrrolidin-1-yl]propan-1-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 596.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 254.1±22.5 °C
Index of Refraction: 1.625
Molar Refractivity: 124.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.31
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 28.84
ACD/KOC (pH 5.5): 82.07
ACD/LogD (pH 7.4): 4.68
ACD/BCF (pH 7.4): 1470.19
ACD/KOC (pH 7.4): 4183.19
Polar Surface Area: 24 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 353.1±3.0 cm3

Click to predict properties on the Chemicalize site


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