ChemSpider 2D Image | N,N'-1,6-Hexanediylbis[4-(3,4-dihydro-2(1H)-isoquinolinylmethyl)benzamide] | C40H46N4O2

N,N'-1,6-Hexanediylbis[4-(3,4-dihydro-2(1H)-isoquinolinylmethyl)benzamide]

  • Molecular FormulaC40H46N4O2
  • Average mass614.819 Da
  • Monoisotopic mass614.362061 Da
  • ChemSpider ID2372751

More details:

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

Benzamide, N,N'-1,6-hexanediylbis[4-[(3,4-dihydro-2(1H)-isoquinolinyl)methyl]- [ACD/Index Name]
N,N'-1,6-Hexandiylbis[4-(3,4-dihydro-2(1H)-isochinolinylmethyl)benzamid] [German] [ACD/IUPAC Name]
N,N'-1,6-Hexanediylbis[4-(3,4-dihydro-2(1H)-isoquinoléinylméthyl)benzamide] [French] [ACD/IUPAC Name]
N,N'-1,6-Hexanediylbis[4-(3,4-dihydro-2(1H)-isoquinolinylmethyl)benzamide] [ACD/IUPAC Name]

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

BAS 00794510 [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: 804.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.0±3.0 kJ/mol
Flash Point: 440.5±34.3 °C
Index of Refraction: 1.620
Molar Refractivity: 186.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.65
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 4.71
ACD/KOC (pH 5.5): 9.70
ACD/LogD (pH 7.4): 5.35
ACD/BCF (pH 7.4): 4782.59
ACD/KOC (pH 7.4): 9850.96
Polar Surface Area: 65 Å2
Polarizability: 73.8±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 529.4±3.0 cm3

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