ChemSpider 2D Image | N-(2,4-Dinitrophenyl)abieta-8,11,13-trien-18-amine | C26H33N3O4

N-(2,4-Dinitrophenyl)abieta-8,11,13-trien-18-amine

  • Molecular FormulaC26H33N3O4
  • Average mass451.558 Da
  • Monoisotopic mass451.247101 Da
  • ChemSpider ID24739932

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-Phenanthrenemethanamine, N-(2,4-dinitrophenyl)-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)- [ACD/Index Name]
N-(2,4-Dinitrophenyl)abieta-8,11,13-trien-18-amin [German] [ACD/IUPAC Name]
N-(2,4-Dinitrophenyl)abieta-8,11,13-trien-18-amine [ACD/IUPAC Name]
N-(2,4-Dinitrophényl)abiéta-8,11,13-trién-18-amine [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: 578.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.5±3.0 kJ/mol
Flash Point: 303.4±30.1 °C
Index of Refraction: 1.599
Molar Refractivity: 129.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 9.61
ACD/LogD (pH 5.5): 8.38
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 858331.00
ACD/LogD (pH 7.4): 8.38
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 858331.00
Polar Surface Area: 104 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 380.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement