ChemSpider 2D Image | 2,2'-[1,4-Piperazinediylbis(3,1-propanediylimino)]bis(3-chloro-1,4-naphthoquinone) | C30H30Cl2N4O4

2,2'-[1,4-Piperazinediylbis(3,1-propanediylimino)]bis(3-chloro-1,4-naphthoquinone)

  • Molecular FormulaC30H30Cl2N4O4
  • Average mass581.490 Da
  • Monoisotopic mass580.164429 Da
  • ChemSpider ID228617

More details:

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

1,4-Naphthalenedione, 2,2'-[1,4-piperazinediylbis(3,1-propanediylimino)]bis[3-chloro- [ACD/Index Name]
2,2'-[1,4-Piperazindiylbis(3,1-propandiylimino)]bis(3-chlor-1,4-naphthochinon) [German] [ACD/IUPAC Name]
2,2'-[1,4-Piperazinediylbis(3,1-propanediylimino)]bis(3-chloro-1,4-naphthoquinone) [ACD/IUPAC Name]
2,2'-[1,4-Pipérazinediylbis(3,1-propanediylimino)]bis(3-chloro-1,4-naphtoquinone) [French] [ACD/IUPAC Name]
2,2'-[piperazine-1,4-diylbis(propane-3,1-diylimino)]bis(3-chloronaphthalene-1,4-dione)
22359-45-1 [RN]
25451-53-0 [RN]

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

NSC91761 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 711.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 383.8±32.9 °C
Index of Refraction: 1.670
Molar Refractivity: 152.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 1.36
ACD/BCF (pH 5.5): 1.73
ACD/KOC (pH 5.5): 11.06
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 89.17
ACD/KOC (pH 7.4): 571.33
Polar Surface Area: 99 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 68.2±5.0 dyne/cm
Molar Volume: 408.8±5.0 cm3

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