ChemSpider 2D Image | N-[(1R)-1-(3,4-Dibutoxyphenyl)ethyl]-N'-(3,3-diphenylpropyl)-1,3-propanediamine | C34H48N2O2

N-[(1R)-1-(3,4-Dibutoxyphenyl)ethyl]-N'-(3,3-diphenylpropyl)-1,3-propanediamine

  • Molecular FormulaC34H48N2O2
  • Average mass516.757 Da
  • Monoisotopic mass516.371582 Da
  • ChemSpider ID4593541

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,3-Propanediamine, N1-[(1R)-1-(3,4-dibutoxyphenyl)ethyl]-N3-(3,3-diphenylpropyl)- [ACD/Index Name]
N-(3,3,-DIPHENYLPROPYL)-N'-[1-R-(2 3,4-BIS-BUTOXYPHENYL)-ETHYL]-PROPYLENEDIAMINE
N-[(1R)-1-(3,4-Dibutoxyphenyl)ethyl]-N'-(3,3-diphenylpropyl)-1,3-propandiamin [German] [ACD/IUPAC Name]
N-[(1R)-1-(3,4-Dibutoxyphenyl)ethyl]-N'-(3,3-diphenylpropyl)-1,3-propanediamine [ACD/IUPAC Name]
N-[(1R)-1-(3,4-Dibutoxyphényl)éthyl]-N'-(3,3-diphénylpropyl)-1,3-propanediamine [French] [ACD/IUPAC Name]
DPD
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL495235/

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

Density: 1.0±0.1 g/cm3
Boiling Point: 634.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 288.3±21.0 °C
Index of Refraction: 1.542
Molar Refractivity: 160.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 7.69
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 9.50
ACD/KOC (pH 5.5): 11.96
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 33.26
ACD/KOC (pH 7.4): 41.88
Polar Surface Area: 43 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 511.3±3.0 cm3

Click to predict properties on the Chemicalize site


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