ChemSpider 2D Image | 3-(1-Amino-4-isoquinolinyl)-N-(1-hydroxy-4-methyl-2-pentanyl)acrylamide | C18H23N3O2

3-(1-Amino-4-isoquinolinyl)-N-(1-hydroxy-4-methyl-2-pentanyl)acrylamide

  • Molecular FormulaC18H23N3O2
  • Average mass313.394 Da
  • Monoisotopic mass313.179016 Da
  • ChemSpider ID24808393

More details:

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

2-Propenamide, 3-(1-amino-4-isoquinolinyl)-N-[1-(hydroxymethyl)-3-methylbutyl]- [ACD/Index Name]
3-(1-Amino-4-isochinolinyl)-N-(1-hydroxy-4-methyl-2-pentanyl)acrylamid [German] [ACD/IUPAC Name]
3-(1-Amino-4-isoquinoléinyl)-N-(1-hydroxy-4-méthyl-2-pentanyl)acrylamide [French] [ACD/IUPAC Name]
3-(1-Amino-4-isoquinolinyl)-N-(1-hydroxy-4-methyl-2-pentanyl)acrylamide [ACD/IUPAC Name]
Kinome_3416

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

Density: 1.2±0.1 g/cm3
Boiling Point: 608.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 321.5±31.5 °C
Index of Refraction: 1.643
Molar Refractivity: 95.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 1.03
ACD/BCF (pH 5.5): 1.93
ACD/KOC (pH 5.5): 26.92
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 21.58
ACD/KOC (pH 7.4): 301.07
Polar Surface Area: 88 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 263.3±3.0 cm3

Click to predict properties on the Chemicalize site


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