ChemSpider 2D Image | (3aS)-6-Bromo-1-methyl-3a,8-bis(3-methyl-2-buten-1-yl)-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indole | C21H29BrN2

(3aS)-6-Bromo-1-methyl-3a,8-bis(3-methyl-2-buten-1-yl)-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indole

  • Molecular FormulaC21H29BrN2
  • Average mass389.372 Da
  • Monoisotopic mass388.151398 Da
  • ChemSpider ID75568499

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(3aS)-6-Brom-1-methyl-3a,8-bis(3-methyl-2-buten-1-yl)-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol [German] [ACD/IUPAC Name]
(3aS)-6-Bromo-1-methyl-3a,8-bis(3-methyl-2-buten-1-yl)-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indole [ACD/IUPAC Name]
(3aS)-6-Bromo-1-méthyl-3a,8-bis(3-méthyl-2-butén-1-yl)-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indole [French] [ACD/IUPAC Name]
Pyrrolo[2,3-b]indole, 6-bromo-1,2,3,3a,8,8a-hexahydro-1-methyl-3a,8-bis(3-methyl-2-buten-1-yl)-, (3aS)- [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: 450.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.9±3.0 kJ/mol
Flash Point: 226.0±28.7 °C
Index of Refraction: 1.567
Molar Refractivity: 106.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.67
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 70.46
ACD/KOC (pH 5.5): 138.14
ACD/LogD (pH 7.4): 5.23
ACD/BCF (pH 7.4): 3491.91
ACD/KOC (pH 7.4): 6845.73
Polar Surface Area: 6 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 37.6±3.0 dyne/cm
Molar Volume: 326.8±3.0 cm3

Click to predict properties on the Chemicalize site


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