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Search term: AJLJGVWPFHGWGZ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-Methyl-1-[(2-methyl-2-propanyl)amino]-4-isoquinolinecarbonitrile | C15H17N3

3-Methyl-1-[(2-methyl-2-propanyl)amino]-4-isoquinolinecarbonitrile

  • Molecular FormulaC15H17N3
  • Average mass239.316 Da
  • Monoisotopic mass239.142242 Da
  • ChemSpider ID58862715

More details:

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

3-Methyl-1-[(2-methyl-2-propanyl)amino]-4-isochinolincarbonitril [German] [ACD/IUPAC Name]
3-Méthyl-1-[(2-méthyl-2-propanyl)amino]-4-isoquinoléinecarbonitrile [French] [ACD/IUPAC Name]
3-Methyl-1-[(2-methyl-2-propanyl)amino]-4-isoquinolinecarbonitrile [ACD/IUPAC Name]
4-Isoquinolinecarbonitrile, 1-[(1,1-dimethylethyl)amino]-3-methyl- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 401.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.2±3.0 kJ/mol
Flash Point: 196.5±28.7 °C
Index of Refraction: 1.595
Molar Refractivity: 73.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 845.70
ACD/KOC (pH 5.5): 4285.38
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 879.60
ACD/KOC (pH 7.4): 4457.15
Polar Surface Area: 49 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 49.8±5.0 dyne/cm
Molar Volume: 216.3±5.0 cm3

Click to predict properties on the Chemicalize site


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