ChemSpider 2D Image | (8aS,8a'S)-1,1'-Dimethyl-2,2',3,3',8,8',8a,8a'-octahydro-1H,1'H-3a,3a'-bipyrrolo[2,3-b]indole | C22H26N4

(8aS,8a'S)-1,1'-Dimethyl-2,2',3,3',8,8',8a,8a'-octahydro-1H,1'H-3a,3a'-bipyrrolo[2,3-b]indole

  • Molecular FormulaC22H26N4
  • Average mass346.469 Da
  • Monoisotopic mass346.215759 Da
  • ChemSpider ID113058236

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(8aS,8a'S)-1,1'-Dimethyl-2,2',3,3',8,8',8a,8a'-octahydro-1H,1'H-3a,3a'-bipyrrolo[2,3-b]indol [German] [ACD/IUPAC Name]
(8aS,8a'S)-1,1'-Dimethyl-2,2',3,3',8,8',8a,8a'-octahydro-1H,1'H-3a,3a'-bipyrrolo[2,3-b]indole [ACD/IUPAC Name]
(8aS,8a'S)-1,1'-Diméthyl-2,2',3,3',8,8',8a,8a'-octahydro-1H,1'H-3a,3a'-bipyrrolo[2,3-b]indole [French] [ACD/IUPAC Name]
3a,3'a(1H,1'H)-Bipyrrolo[2,3-b]indole, 2,2',3,3',8,8',8a,8'a-octahydro-1,1'-dimethyl-, (8aS,8a'S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 490.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.8±3.0 kJ/mol
Flash Point: 272.5±23.4 °C
Index of Refraction: 1.651
Molar Refractivity: 103.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.51
ACD/LogD (pH 5.5): -1.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 3.69
ACD/KOC (pH 7.4): 53.90
Polar Surface Area: 31 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 282.9±3.0 cm3

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