ChemSpider 2D Image | 3-AMINOBENZO[E]PYRENE | C20H13N

3-AMINOBENZO[E]PYRENE

  • Molecular FormulaC20H13N
  • Average mass267.324 Da
  • Monoisotopic mass267.104797 Da
  • ChemSpider ID32816334

More details:

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

120014-98-4 [RN]
3-AMINOBENZO[E]PYRENE
Benzo[e]pyren-3-amin [German] [ACD/IUPAC Name]
Benzo[e]pyren-3-amine [ACD/Index Name] [ACD/IUPAC Name]
Benzo[e]pyrén-3-amine [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 530.0±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.5±3.0 kJ/mol
Flash Point: 306.0±16.8 °C
Index of Refraction: 1.932
Molar Refractivity: 94.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.12
ACD/LogD (pH 5.5): 5.31
ACD/BCF (pH 5.5): 6335.38
ACD/KOC (pH 5.5): 17989.92
ACD/LogD (pH 7.4): 5.34
ACD/BCF (pH 7.4): 6746.94
ACD/KOC (pH 7.4): 19158.61
Polar Surface Area: 26 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 72.7±3.0 dyne/cm
Molar Volume: 198.4±3.0 cm3

Click to predict properties on the Chemicalize site


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