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Search term: GAWGFYBLRGTQOO-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3-{1-Oxo-2-[2-(1-pyrrolidinyl)ethyl]-1,2,3,4-tetrahydro-6-isoquinolinyl}benzonitrile | C22H23N3O

3-{1-Oxo-2-[2-(1-pyrrolidinyl)ethyl]-1,2,3,4-tetrahydro-6-isoquinolinyl}benzonitrile

  • Molecular FormulaC22H23N3O
  • Average mass345.438 Da
  • Monoisotopic mass345.184113 Da
  • ChemSpider ID28527962

More details:

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

3-{1-Oxo-2-[2-(1-pyrrolidinyl)ethyl]-1,2,3,4-tetrahydro-6-isochinolinyl}benzonitril [German] [ACD/IUPAC Name]
3-{1-Oxo-2-[2-(1-pyrrolidinyl)éthyl]-1,2,3,4-tétrahydro-6-isoquinoléinyl}benzonitrile [French] [ACD/IUPAC Name]
3-{1-Oxo-2-[2-(1-pyrrolidinyl)ethyl]-1,2,3,4-tetrahydro-6-isoquinolinyl}benzonitrile [ACD/IUPAC Name]
Benzonitrile, 3-[1,2,3,4-tetrahydro-1-oxo-2-[2-(1-pyrrolidinyl)ethyl]-6-isoquinolinyl]- [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: 582.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.1±3.0 kJ/mol
Flash Point: 306.2±30.1 °C
Index of Refraction: 1.651
Molar Refractivity: 101.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.16
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 7.09
ACD/KOC (pH 7.4): 50.19
Polar Surface Area: 47 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 62.3±5.0 dyne/cm
Molar Volume: 278.0±5.0 cm3

Click to predict properties on the Chemicalize site


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