ChemSpider 2D Image | 9-[8-(Isopropylamino)-1-oxo-1,2,3,4-tetrahydro-6-isoquinolinyl]-2,7,7-trimethyl-1,2,3,4,6,7,8,9-octahydro-5H-beta-carbolin-5-one | C26H34N4O2

9-[8-(Isopropylamino)-1-oxo-1,2,3,4-tetrahydro-6-isoquinolinyl]-2,7,7-trimethyl-1,2,3,4,6,7,8,9-octahydro-5H-β-carbolin-5-one

  • Molecular FormulaC26H34N4O2
  • Average mass434.574 Da
  • Monoisotopic mass434.268188 Da
  • ChemSpider ID34236309

More details:






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

2,7,7-Trimethyl-9-[1-Oxo-8-(Propan-2-Ylamino)-1,2,3,4-Tetrahydroisoquinolin-6-Yl]-1,2,3,4,6,7,8,9-Octahydro-5h-β-Carbolin-5-One
5H-Pyrido[3,4-b]indol-5-one, 1,2,3,4,6,7,8,9-octahydro-2,7,7-trimethyl-9-[1,2,3,4-tetrahydro-8-[(1-methylethyl)amino]-1-oxo-6-isoquinolinyl]- [ACD/Index Name]
9-[8-(Isopropylamino)-1-oxo-1,2,3,4-tetrahydro-6-isochinolinyl]-2,7,7-trimethyl-1,2,3,4,6,7,8,9-octahydro-5H-β-carbolin-5-on [German] [ACD/IUPAC Name]
9-[8-(Isopropylamino)-1-oxo-1,2,3,4-tétrahydro-6-isoquinoléinyl]-2,7,7-triméthyl-1,2,3,4,6,7,8,9-octahydro-5H-β-carbolin-5-one [French] [ACD/IUPAC Name]
9-[8-(Isopropylamino)-1-oxo-1,2,3,4-tetrahydro-6-isoquinolinyl]-2,7,7-trimethyl-1,2,3,4,6,7,8,9-octahydro-5H-β-carbolin-5-one [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 711.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 383.8±32.9 °C
Index of Refraction: 1.669
Molar Refractivity: 125.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.24
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 27.40
ACD/KOC (pH 7.4): 181.33
Polar Surface Area: 66 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 47.9±7.0 dyne/cm
Molar Volume: 334.8±7.0 cm3

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