ChemSpider 2D Image | 7-(Dimethylamino)-4-(isobutylamino)-3-[(E)-(isobutylimino)methyl]-2H-chromen-2-one | C20H29N3O2

7-(Dimethylamino)-4-(isobutylamino)-3-[(E)-(isobutylimino)methyl]-2H-chromen-2-one

  • Molecular FormulaC20H29N3O2
  • Average mass343.463 Da
  • Monoisotopic mass343.225983 Da
  • ChemSpider ID30653327

  • Double-bond stereo - Double-bond stereo

More details:

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

2H-1-Benzopyran-2-one, 7-(dimethylamino)-4-[(2-methylpropyl)amino]-3-[(E)-[(2-methylpropyl)imino]methyl]- [ACD/Index Name]
7-(Dimethylamino)-4-(isobutylamino)-3-[(E)-(isobutylimino)methyl]-2H-chromen-2-on [German] [ACD/IUPAC Name]
7-(Dimethylamino)-4-(isobutylamino)-3-[(E)-(isobutylimino)methyl]-2H-chromen-2-one [ACD/IUPAC Name]
7-(Diméthylamino)-4-(isobutylamino)-3-[(E)-(isobutylimino)méthyl]-2H-chromén-2-one [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 506.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.6±3.0 kJ/mol
Flash Point: 259.9±30.1 °C
Index of Refraction: 1.550
Molar Refractivity: 100.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 382.02
ACD/KOC (pH 5.5): 1951.59
ACD/LogD (pH 7.4): 4.15
ACD/BCF (pH 7.4): 841.95
ACD/KOC (pH 7.4): 4301.17
Polar Surface Area: 54 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 35.2±7.0 dyne/cm
Molar Volume: 316.2±7.0 cm3

Click to predict properties on the Chemicalize site


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