ChemSpider 2D Image | 8-Butyl-5-(hydroxymethyl)-2-isopropyl-1-methyl-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one | C21H31N3O2

8-Butyl-5-(hydroxymethyl)-2-isopropyl-1-methyl-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one

  • Molecular FormulaC21H31N3O2
  • Average mass357.490 Da
  • Monoisotopic mass357.241638 Da
  • ChemSpider ID64883460

More details:

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

3H-1,4-Diazonino[7,6,5-cd]indol-3-one, 8-butyl-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)- [ACD/Index Name]
8-Butyl-5-(hydroxymethyl)-2-isopropyl-1-methyl-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-on [German] [ACD/IUPAC Name]
8-Butyl-5-(hydroxymethyl)-2-isopropyl-1-methyl-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one [ACD/IUPAC Name]
8-Butyl-5-(hydroxyméthyl)-2-isopropyl-1-méthyl-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one [French] [ACD/IUPAC 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: 599.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 316.3±30.1 °C
Index of Refraction: 1.601
Molar Refractivity: 103.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 90.77
ACD/KOC (pH 5.5): 877.18
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 90.77
ACD/KOC (pH 7.4): 877.23
Polar Surface Area: 58 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 42.0±7.0 dyne/cm
Molar Volume: 302.4±7.0 cm3

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