ChemSpider 2D Image | 7-(4-Nitrobenzyl)-16-(1-pyrenylmethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane | C36H41N3O6

7-(4-Nitrobenzyl)-16-(1-pyrenylmethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane

  • Molecular FormulaC36H41N3O6
  • Average mass611.727 Da
  • Monoisotopic mass611.299561 Da
  • ChemSpider ID9051073

More details:

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

1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane, 7-[(4-nitrophenyl)methyl]-16-(1-pyrenylmethyl)- [ACD/Index Name]
7-(4-Nitrobenzyl)-16-(1-pyrenylmethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan [German] [ACD/IUPAC Name]
7-(4-Nitrobenzyl)-16-(1-pyrenylmethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane [ACD/IUPAC Name]
7-(4-Nitrobenzyl)-16-(1-pyrénylméthyl)-1,4,10,13-tétraoxa-7,16-diazacyclooctadécane [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: 767.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.7±3.0 kJ/mol
Flash Point: 417.8±31.5 °C
Index of Refraction: 1.629
Molar Refractivity: 180.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.76
ACD/LogD (pH 5.5): 1.73
ACD/BCF (pH 5.5): 1.46
ACD/KOC (pH 5.5): 3.73
ACD/LogD (pH 7.4): 4.75
ACD/BCF (pH 7.4): 1557.40
ACD/KOC (pH 7.4): 3992.53
Polar Surface Area: 89 Å2
Polarizability: 71.4±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 506.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement