ChemSpider 2D Image | N-[(1E)-1-Octadecen-1-yl]-1,3-propanediamine | C21H44N2

N-[(1E)-1-Octadecen-1-yl]-1,3-propanediamine

  • Molecular FormulaC21H44N2
  • Average mass324.587 Da
  • Monoisotopic mass324.350464 Da
  • ChemSpider ID31045103

  • Double-bond stereo - Double-bond stereo

More details:

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

1,3-Propanediamine, N1-[(1E)-1-octadecen-1-yl]- [ACD/Index Name]
N-[(1E)-1-Octadecen-1-yl]-1,3-propandiamin [German] [ACD/IUPAC Name]
N-[(1E)-1-Octadecen-1-yl]-1,3-propanediamine [ACD/IUPAC Name]
N-[(1E)-1-Octadécén-1-yl]-1,3-propanediamine [French] [ACD/IUPAC Name]
(3-AMINOPROPYL)((1E)-OCTADEC-1-EN-1-YL)AMINE
(3-AMINOPROPYL)[(1E)-OCTADEC-1-EN-1-YL]AMINE
(Z)-N-9-octadecenylpropane-1,3-diamine

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

Density: 0.9±0.1 g/cm3
Boiling Point: 443.2±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.1±3.0 kJ/mol
Flash Point: 263.1±27.6 °C
Index of Refraction: 1.471
Molar Refractivity: 106.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 3
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 1
ACD/LogP: 8.39
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 75.65
ACD/KOC (pH 5.5): 63.88
ACD/LogD (pH 7.4): 5.15
ACD/BCF (pH 7.4): 1119.28
ACD/KOC (pH 7.4): 945.15
Polar Surface Area: 38 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 32.7±3.0 dyne/cm
Molar Volume: 381.3±3.0 cm3

Click to predict properties on the Chemicalize site


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