ChemSpider 2D Image | 4,4'-{6,7,9,10,17,18,20,21-Octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine-2,14-diylbis[nitrilo(E)methylylidene]}bis(N,N-dimethylaniline) | C38H44N4O6

4,4'-{6,7,9,10,17,18,20,21-Octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine-2,14-diylbis[nitrilo(E)methylylidene]}bis(N,N-dimethylaniline)

  • Molecular FormulaC38H44N4O6
  • Average mass652.779 Da
  • Monoisotopic mass652.326111 Da
  • ChemSpider ID2346863

  • Double-bond stereo - Double-bond stereo

More details:

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

4,4'-{6,7,9,10,17,18,20,21-Octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2,14-diylbis[nitrilo(E)methylyliden]}bis(N,N-dimethylanilin) [German] [ACD/IUPAC Name]
4,4'-{6,7,9,10,17,18,20,21-Octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine-2,14-diylbis[nitrilo(E)methylylidene]}bis(N,N-dimethylaniline) [ACD/IUPAC Name]
4,4'-{6,7,9,10,17,18,20,21-Octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadécine-2,14-diylbis[nitrilo(E)méthylylidène]}bis(N,N-diméthylaniline) [French] [ACD/IUPAC Name]
Dibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2,14-diamine, N2,N14-bis[(1E)-[4-(dimethylamino)phenyl]methylene]-6,7,9,10,17,18,20,21-octahydro- [ACD/Index Name]

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

BAS 00104288 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 826.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.1±3.0 kJ/mol
Flash Point: 453.7±34.3 °C
Index of Refraction: 1.572
Molar Refractivity: 186.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 4.64
ACD/BCF (pH 5.5): 1661.64
ACD/KOC (pH 5.5): 5664.13
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 3509.49
ACD/KOC (pH 7.4): 11962.99
Polar Surface Area: 87 Å2
Polarizability: 74.0±0.5 10-24cm3
Surface Tension: 41.7±7.0 dyne/cm
Molar Volume: 566.8±7.0 cm3

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