Found 2 results

Search term: MF = 'C_{42}H_{53}N_{3}O_{2}'
ChemSpider 2D Image | 3-[3-(3-{3-[3-(10,11-Dihydro-5H-dibenzo[b,f]azepin-5-yl)propoxy]propoxy}propyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl]-N,N-dimethyl-1-propanamine | C42H53N3O2

3-[3-(3-{3-[3-(10,11-Dihydro-5H-dibenzo[b,f]azepin-5-yl)propoxy]propoxy}propyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl]-N,N-dimethyl-1-propanamine

  • Molecular FormulaC42H53N3O2
  • Average mass631.889 Da
  • Monoisotopic mass631.413757 Da
  • ChemSpider ID58876426

More details:

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

3-[3-(3-{3-[3-(10,11-Dihydro-5H-dibenzo[b,f]azepin-5-yl)propoxy]propoxy}propyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl]-N,N-dimethyl-1-propanamin [German] [ACD/IUPAC Name]
3-[3-(3-{3-[3-(10,11-Dihydro-5H-dibenzo[b,f]azepin-5-yl)propoxy]propoxy}propyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl]-N,N-dimethyl-1-propanamine [ACD/IUPAC Name]
3-[3-(3-{3-[3-(10,11-Dihydro-5H-dibenzo[b,f]azépin-5-yl)propoxy]propoxy}propyl)-10,11-dihydro-5H-dibenzo[b,f]azépin-5-yl]-N,N-diméthyl-1-propanamine [French] [ACD/IUPAC Name]
5H-Dibenz[b,f]azepine-5-propanamine, 3-[3-[3-[3-(10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)propoxy]propoxy]propyl]-10,11-dihydro-N,N-dimethyl- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 754.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.0±3.0 kJ/mol
Flash Point: 179.2±30.1 °C
Index of Refraction: 1.583
Molar Refractivity: 194.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 9.91
ACD/LogD (pH 5.5): 6.03
ACD/BCF (pH 5.5): 4202.10
ACD/KOC (pH 5.5): 1864.69
ACD/LogD (pH 7.4): 7.06
ACD/BCF (pH 7.4): 44970.47
ACD/KOC (pH 7.4): 19955.66
Polar Surface Area: 28 Å2
Polarizability: 77.1±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 581.2±3.0 cm3

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