ChemSpider 2D Image | N-[3-(2-Naphthyl)propyl]-N'-(3-{[3-(2-naphthyl)propyl]amino}propyl)-1,4-butanediamine | C33H43N3

N-[3-(2-Naphthyl)propyl]-N'-(3-{[3-(2-naphthyl)propyl]amino}propyl)-1,4-butanediamine

  • Molecular FormulaC33H43N3
  • Average mass481.715 Da
  • Monoisotopic mass481.345703 Da
  • ChemSpider ID23282278

More details:

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

1,4-Butanediamine, N1-[3-(2-naphthalenyl)propyl]-N4-[3-[[3-(2-naphthalenyl)propyl]amino]propyl]- [ACD/Index Name]
N-[3-(2-Naphthyl)propyl]-N'-(3-{[3-(2-naphthyl)propyl]amino}propyl)-1,4-butandiamin [German] [ACD/IUPAC Name]
N-[3-(2-Naphthyl)propyl]-N'-(3-{[3-(2-naphthyl)propyl]amino}propyl)-1,4-butanediamine [ACD/IUPAC Name]
N-[3-(2-Naphtyl)propyl]-N'-(3-{[3-(2-naphtyl)propyl]amino}propyl)-1,4-butanediamine [French] [ACD/IUPAC Name]
N-[3-(naphthalen-2-yl)propyl]-N'-(3-{[3-(naphthalen-2-yl)propyl]amino}propyl)butane-1,4-diamine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL266285/
N1-(3-(naphthalen-2-yl)propyl)-N4-(3-(3-(naphthalen-2-yl)propylamino)propyl)butane-1,4-diamine

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

Density: 1.0±0.1 g/cm3
Boiling Point: 654.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 375.7±26.6 °C
Index of Refraction: 1.603
Molar Refractivity: 157.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 6.22
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 36 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 44.4±3.0 dyne/cm
Molar Volume: 459.2±3.0 cm3

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