ChemSpider 2D Image | 1,1'-(5,11-Pentadecanediyl)bis(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline) | C37H58N2O4

1,1'-(5,11-Pentadecanediyl)bis(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline)

  • Molecular FormulaC37H58N2O4
  • Average mass594.867 Da
  • Monoisotopic mass594.439636 Da
  • ChemSpider ID363101

More details:

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

1,1'-(5,11-Pentadecandiyl)bis(6,7-dimethoxy-1,2,3,4-tetrahydroisochinolin) [German] [ACD/IUPAC Name]
1,1'-(5,11-Pentadécanediyl)bis(6,7-diméthoxy-1,2,3,4-tétrahydroisoquinoléine) [French] [ACD/IUPAC Name]
1,1'-(5,11-Pentadecanediyl)bis(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline) [ACD/IUPAC Name]
Isoquinoline, 1,1'-(1,7-dibutyl-1,7-heptanediyl)bis[1,2,3,4-tetrahydro-6,7-dimethoxy- [ACD/Index Name]

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

NSC27415 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 682.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 313.6±21.0 °C
Index of Refraction: 1.519
Molar Refractivity: 177.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 9.05
ACD/LogD (pH 5.5): 4.12
ACD/BCF (pH 5.5): 83.07
ACD/KOC (pH 5.5): 56.43
ACD/LogD (pH 7.4): 5.27
ACD/BCF (pH 7.4): 1169.10
ACD/KOC (pH 7.4): 794.08
Polar Surface Area: 61 Å2
Polarizability: 70.4±0.5 10-24cm3
Surface Tension: 36.7±3.0 dyne/cm
Molar Volume: 584.8±3.0 cm3

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