ChemSpider 2D Image | (R)-5-(8-Chloroisoquinolin-3-Ylamino)-3-(1-(Dimethylamino)propan-2-Yloxy)pyrazine-2-Carbonitrile | C19H19ClN6O

(R)-5-(8-Chloroisoquinolin-3-Ylamino)-3-(1-(Dimethylamino)propan-2-Yloxy)pyrazine-2-Carbonitrile

  • Molecular FormulaC19H19ClN6O
  • Average mass382.847 Da
  • Monoisotopic mass382.130890 Da
  • ChemSpider ID26329430

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(R)-5-(8-Chloroisoquinolin-3-Ylamino)-3-(1-(Dimethylamino)propan-2-Yloxy)pyrazine-2-Carbonitrile
1184843-57-9 [RN]
5-[(8-CHLOROISOQUINOLIN-3-YL)AMINO]-3-{[(2R)-1-(DIMETHYLAMINO)PROPAN-2-YL]OXY}PYRAZINE-2-CARBONITRILE
(R)-5-((8-CHLOROISOQUINOLIN-3-YL)AMINO)-3-((1-(DIMETHYLAMINO)PROPAN-2-YL)OXY)PYRAZINE-2-CARBONITRILE
[1184843-57-9] [RN]
157673-16-0 [RN]
2-Pyrazinecarbonitrile, 5-[(8-chloro-3-isoquinolinyl)amino]-3-[(1R)-2-(dimethylamino)-1-methylethoxy]- [ACD/Index Name]
5-[(8-Chlor-3-isochinolinyl)amino]-3-{[(2R)-1-(dimethylamino)-2-propanyl]oxy}-2-pyrazincarbonitril [German] [ACD/IUPAC Name]
5-[(8-Chloro-3-isoquinoléinyl)amino]-3-{[(2R)-1-(diméthylamino)-2-propanyl]oxy}-2-pyrazinecarbonitrile [French] [ACD/IUPAC Name]
5-[(8-Chloro-3-isoquinolinyl)amino]-3-[(1R)-2-(dimethylamino)-1-methylethoxy]-2-pyrazinecarbonitrile
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 557.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 83.9±3.0 kJ/mol
    Flash Point: 290.9±30.1 °C
    Index of Refraction: 1.653
    Molar Refractivity: 104.2±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 5.86
    ACD/LogD (pH 5.5): 1.32
    ACD/BCF (pH 5.5): 1.48
    ACD/KOC (pH 5.5): 8.97
    ACD/LogD (pH 7.4): 3.02
    ACD/BCF (pH 7.4): 74.75
    ACD/KOC (pH 7.4): 452.63
    Polar Surface Area: 87 Å2
    Polarizability: 41.3±0.5 10-24cm3
    Surface Tension: 70.5±5.0 dyne/cm
    Molar Volume: 284.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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