ChemSpider 2D Image | (3E)-2-(9H-beta-Carbolin-1-ylmethyl)-3-ethylidene-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine | C29H28N4

(3E)-2-(9H-β-Carbolin-1-ylmethyl)-3-ethylidene-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine

  • Molecular FormulaC29H28N4
  • Average mass432.559 Da
  • Monoisotopic mass432.231384 Da
  • ChemSpider ID64881804

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-2-(9H-β-Carbolin-1-ylmethyl)-3-ethyliden-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]chinolizin [German] [ACD/IUPAC Name]
(3E)-2-(9H-β-Carbolin-1-ylmethyl)-3-ethylidene-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine [ACD/IUPAC Name]
(3E)-2-(9H-β-Carbolin-1-ylméthyl)-3-éthylidène-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine [French] [ACD/IUPAC Name]
Indolo[2,3-a]quinolizine, 3-ethylidene-1,2,3,4,6,7,12,12b-octahydro-2-(9H-pyrido[3,4-b]indol-1-ylmethyl)-, (3E)- [ACD/Index Name]
36150-14-8 [RN]
usambarensine

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

C09249 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 685.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.5±3.0 kJ/mol
Flash Point: 368.1±31.5 °C
Index of Refraction: 1.765
Molar Refractivity: 135.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.46
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 1.33
ACD/KOC (pH 5.5): 2.99
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 98.11
ACD/KOC (pH 7.4): 219.79
Polar Surface Area: 48 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 72.5±5.0 dyne/cm
Molar Volume: 327.8±5.0 cm3

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