ChemSpider 2D Image | 2-[(E)-(1H-Pyrrol-2-ylmethylene)amino]-N,N-bis{2-[(E)-(1H-pyrrol-2-ylmethylene)amino]ethyl}ethanamine | C21H27N7

2-[(E)-(1H-Pyrrol-2-ylmethylene)amino]-N,N-bis{2-[(E)-(1H-pyrrol-2-ylmethylene)amino]ethyl}ethanamine

  • Molecular FormulaC21H27N7
  • Average mass377.486 Da
  • Monoisotopic mass377.232788 Da
  • ChemSpider ID21195203

  • Double-bond stereo - Double-bond stereo

More details:

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

1,2-Ethanediamine, N2-[(1E)-1H-pyrrol-2-ylmethylene]-N1,N1-bis[2-[[(1E)-1H-pyrrol-2-ylmethylene]amino]ethyl]- [ACD/Index Name]
2-[(E)-(1H-Pyrrol-2-ylmethylen)amino]-N,N-bis{2-[(E)-(1H-pyrrol-2-ylmethylen)amino]ethyl}ethanamin [German] [ACD/IUPAC Name]
2-[(E)-(1H-Pyrrol-2-ylmethylene)amino]-N,N-bis{2-[(E)-(1H-pyrrol-2-ylmethylene)amino]ethyl}ethanamine [ACD/IUPAC Name]
2-[(E)-(1H-Pyrrol-2-ylméthylène)amino]-N,N-bis{2-[(E)-(1H-pyrrol-2-ylméthylène)amino]éthyl}éthanamine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 646.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 344.6±31.5 °C
Index of Refraction: 1.621
Molar Refractivity: 114.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: -0.26
ACD/LogD (pH 5.5): -0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.76
ACD/BCF (pH 7.4): 1.18
ACD/KOC (pH 7.4): 18.58
Polar Surface Area: 88 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 48.1±7.0 dyne/cm
Molar Volume: 324.0±7.0 cm3

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