ChemSpider 2D Image | 1-{2-[1-(Aminomethyl)cyclohexyl]ethyl}-3-Isoquinolin-6-Ylurea | C19H26N4O

1-{2-[1-(Aminomethyl)cyclohexyl]ethyl}-3-Isoquinolin-6-Ylurea

  • Molecular FormulaC19H26N4O
  • Average mass326.436 Da
  • Monoisotopic mass326.210663 Da
  • ChemSpider ID35035111

More details:






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

1-{2-[1-(Aminomethyl)cyclohexyl]ethyl}-3-(6-isochinolinyl)harnstoff [German] [ACD/IUPAC Name]
1-{2-[1-(Aminométhyl)cyclohexyl]éthyl}-3-(6-isoquinoléinyl)urée [French] [ACD/IUPAC Name]
1-{2-[1-(Aminomethyl)cyclohexyl]ethyl}-3-(6-isoquinolinyl)urea [ACD/IUPAC Name]
1-{2-[1-(Aminomethyl)cyclohexyl]ethyl}-3-Isoquinolin-6-Ylurea
Urea, N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N'-6-isoquinolinyl- [ACD/Index Name]
3BQ

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

Density: 1.2±0.1 g/cm3
Boiling Point: 507.8±36.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 260.9±26.2 °C
Index of Refraction: 1.619
Molar Refractivity: 98.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.73
ACD/LogD (pH 5.5): -1.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.16
Polar Surface Area: 80 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 280.8±3.0 cm3

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