ChemSpider 2D Image | N,N'-Bis[(5S)-2-(benzyloxy)-5,6,7,8-tetrahydro-5-quinolinyl]dodecanediamide | C44H54N4O4

N,N'-Bis[(5S)-2-(benzyloxy)-5,6,7,8-tetrahydro-5-quinolinyl]dodecanediamide

  • Molecular FormulaC44H54N4O4
  • Average mass702.924 Da
  • Monoisotopic mass702.414490 Da
  • ChemSpider ID9391273

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Dodecanediamide, N1,N12-bis[(5S)-5,6,7,8-tetrahydro-2-(phenylmethoxy)-5-quinolinyl]- [ACD/Index Name]
N,N'-Bis[(5S)-2-(benzyloxy)-5,6,7,8-tetrahydro-5-chinolinyl]dodecandiamid [German] [ACD/IUPAC Name]
N,N'-Bis[(5S)-2-(benzyloxy)-5,6,7,8-tétrahydro-5-quinoléinyl]dodécanediamide [French] [ACD/IUPAC Name]
N,N'-Bis[(5S)-2-(benzyloxy)-5,6,7,8-tetrahydro-5-quinolinyl]dodecanediamide [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: 891.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.7±3.0 kJ/mol
Flash Point: 493.2±34.3 °C
Index of Refraction: 1.611
Molar Refractivity: 205.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 10.15
ACD/LogD (pH 5.5): 7.94
ACD/BCF (pH 5.5): 627810.63
ACD/KOC (pH 5.5): 479976.06
ACD/LogD (pH 7.4): 7.98
ACD/BCF (pH 7.4): 682462.50
ACD/KOC (pH 7.4): 521758.69
Polar Surface Area: 102 Å2
Polarizability: 81.4±0.5 10-24cm3
Surface Tension: 58.5±5.0 dyne/cm
Molar Volume: 591.3±5.0 cm3

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