ChemSpider 2D Image | 3-(Hydroxymethyl)-1-methyl-5-[(2R)-2-methyl-1-aziridinyl]-2-phenyl-1H-indole-4,7-dione | C19H18N2O3

3-(Hydroxymethyl)-1-methyl-5-[(2R)-2-methyl-1-aziridinyl]-2-phenyl-1H-indole-4,7-dione

  • Molecular FormulaC19H18N2O3
  • Average mass322.358 Da
  • Monoisotopic mass322.131744 Da
  • ChemSpider ID26326179
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

1H-Indole-4,7-dione, 3-(hydroxymethyl)-1-methyl-5-[(2R)-2-methyl-1-aziridinyl]-2-phenyl- [ACD/Index Name]
3-(Hydroxymethyl)-1-methyl-5-[(2R)-2-methyl-1-aziridinyl]-2-phenyl-1H-indol-4,7-dion [German] [ACD/IUPAC Name]
3-(Hydroxymethyl)-1-methyl-5-[(2R)-2-methyl-1-aziridinyl]-2-phenyl-1H-indole-4,7-dione [ACD/IUPAC Name]
3-(Hydroxyméthyl)-1-méthyl-5-[(2R)-2-méthyl-1-aziridinyl]-2-phényl-1H-indole-4,7-dione [French] [ACD/IUPAC Name]
3-(hydroxymethyl)-1-methyl-5-(2-methylaziridin-1-yl)-2-phenyl-1H-indole-4,7-dione
ARH

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

Density: 1.4±0.1 g/cm3
Boiling Point: 600.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 317.2±31.5 °C
Index of Refraction: 1.688
Molar Refractivity: 90.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.56
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 14.97
ACD/KOC (pH 5.5): 241.44
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 14.97
ACD/KOC (pH 7.4): 241.44
Polar Surface Area: 62 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 53.7±7.0 dyne/cm
Molar Volume: 236.1±7.0 cm3

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