ChemSpider 2D Image | Psychotrimine | C33H38N6

Psychotrimine

  • Molecular FormulaC33H38N6
  • Average mass518.695 Da
  • Monoisotopic mass518.315796 Da
  • ChemSpider ID10184282

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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Psychotrimine
1H-Indole-3-ethanamine, 1,1'-[(3aR,8aS)-2,3,8,8a-tetrahydro-1-methylpyrrolo[2,3-b]indole-3a,7(1H)-diyl]bis[N'-methyl- [ACD/Index Name]
2,2'-{[(3aR,8aS)-1-Methyl-2,3,8,8a-tetrahydropyrrolo[2,3-b]indol-3a,7(1H)-diyl]bis(1H-indol-1,3-diyl)}bis(N-methylethanamin) [German] [ACD/IUPAC Name]
2,2'-{[(3aR,8aS)-1-Methyl-2,3,8,8a-tetrahydropyrrolo[2,3-b]indole-3a,7(1H)-diyl]bis(1H-indole-1,3-diyl)}bis(N-methylethanamine) [ACD/IUPAC Name]
2,2'-{[(3aR,8aS)-1-Méthyl-2,3,8,8a-tétrahydropyrrolo[2,3-b]indole-3a,7(1H)-diyl]bis(1H-indole-1,3-diyl)}bis(N-méthyléthanamine) [French] [ACD/IUPAC Name]
(±)-psychotrimine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 718.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.0±3.0 kJ/mol
Flash Point: 388.5±32.9 °C
Index of Refraction: 1.690
Molar Refractivity: 157.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.52
ACD/LogD (pH 5.5): -0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 49 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 50.3±7.0 dyne/cm
Molar Volume: 412.7±7.0 cm3

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