Found 1 result

Search term: SMJJAAHWGIEVIU (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-(2,7,7-Trimethyl-5-oxo-1,2,3,4,5,6,7,8-octahydro-9H-beta-carbolin-9-yl)benzamide | C21H25N3O2

4-(2,7,7-Trimethyl-5-oxo-1,2,3,4,5,6,7,8-octahydro-9H-β-carbolin-9-yl)benzamide

  • Molecular FormulaC21H25N3O2
  • Average mass351.442 Da
  • Monoisotopic mass351.194672 Da
  • ChemSpider ID34236021

More details:

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

4-(2,7,7-Trimethyl-5-oxo-1,2,3,4,5,6,7,8-octahydro-9H-β-carbolin-9-yl)benzamid [German] [ACD/IUPAC Name]
4-(2,7,7-Trimethyl-5-oxo-1,2,3,4,5,6,7,8-octahydro-9H-β-carbolin-9-yl)benzamide [ACD/IUPAC Name]
4-(2,7,7-Triméthyl-5-oxo-1,2,3,4,5,6,7,8-octahydro-9H-β-carbolin-9-yl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-(1,2,3,4,5,6,7,8-octahydro-2,7,7-trimethyl-5-oxo-9H-pyrido[3,4-b]indol-9-yl)- [ACD/Index Name]
2Q8

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

Density: 1.3±0.1 g/cm3
Boiling Point: 554.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.6±3.0 kJ/mol
Flash Point: 289.2±30.1 °C
Index of Refraction: 1.661
Molar Refractivity: 100.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.88
ACD/LogD (pH 5.5): -0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.13
ACD/LogD (pH 7.4): 1.44
ACD/BCF (pH 7.4): 4.32
ACD/KOC (pH 7.4): 52.81
Polar Surface Area: 68 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 50.4±7.0 dyne/cm
Molar Volume: 272.2±7.0 cm3

Click to predict properties on the Chemicalize site


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