ChemSpider 2D Image | 3-Methyl-1-(pentylamino)-4-isoquinolinecarbonitrile | C16H19N3

3-Methyl-1-(pentylamino)-4-isoquinolinecarbonitrile

  • Molecular FormulaC16H19N3
  • Average mass253.342 Da
  • Monoisotopic mass253.157898 Da
  • ChemSpider ID58862529

More details:

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

3-Methyl-1-(pentylamino)-4-isochinolincarbonitril [German] [ACD/IUPAC Name]
3-Méthyl-1-(pentylamino)-4-isoquinoléinecarbonitrile [French] [ACD/IUPAC Name]
3-Methyl-1-(pentylamino)-4-isoquinolinecarbonitrile [ACD/IUPAC Name]
4-Isoquinolinecarbonitrile, 3-methyl-1-(pentylamino)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 425.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.0±3.0 kJ/mol
Flash Point: 211.1±28.7 °C
Index of Refraction: 1.588
Molar Refractivity: 78.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.16
ACD/LogD (pH 5.5): 5.04
ACD/BCF (pH 5.5): 3947.30
ACD/KOC (pH 5.5): 12888.63
ACD/LogD (pH 7.4): 5.06
ACD/BCF (pH 7.4): 4128.71
ACD/KOC (pH 7.4): 13480.99
Polar Surface Area: 49 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 50.4±5.0 dyne/cm
Molar Volume: 232.2±5.0 cm3

Click to predict properties on the Chemicalize site


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