Found 1 result

Search term: JEHITPSPEWPKHP-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 9-(8-Isobutyl-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 | C27H35N3O2

9-(8-Isobutyl-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 FormulaC27H35N3O2
  • Average mass433.586 Da
  • Monoisotopic mass433.272919 Da
  • ChemSpider ID34236314

More details:

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

2,7,7-Trimethyl-9-[8-(2-Methylpropyl)-1-Oxo-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-(2-methylpropyl)-1-oxo-6-isoquinolinyl]- [ACD/Index Name]
9-(8-Isobutyl-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-Isobutyl-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-Isobutyl-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, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 677.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 363.3±31.5 °C
Index of Refraction: 1.652
Molar Refractivity: 126.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 4.59
ACD/KOC (pH 5.5): 16.95
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 184.68
ACD/KOC (pH 7.4): 682.29
Polar Surface Area: 54 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 45.6±7.0 dyne/cm
Molar Volume: 346.2±7.0 cm3

Click to predict properties on the Chemicalize site


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