ChemSpider 2D Image | 3-{[Bis(2-chloroethyl)amino]methyl}-1,8-dihydroxy-6-methoxy-9,10-anthraquinone | C20H19Cl2NO5

3-{[Bis(2-chloroethyl)amino]methyl}-1,8-dihydroxy-6-methoxy-9,10-anthraquinone

  • Molecular FormulaC20H19Cl2NO5
  • Average mass424.275 Da
  • Monoisotopic mass423.064026 Da
  • ChemSpider ID23136522

More details:

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

3-{[Bis(2-chlorethyl)amino]methyl}-1,8-dihydroxy-6-methoxy-9,10-anthrachinon [German] [ACD/IUPAC Name]
3-{[Bis(2-chloroethyl)amino]methyl}-1,8-dihydroxy-6-methoxy-9,10-anthraquinone [ACD/IUPAC Name]
3-{[Bis(2-chloroéthyl)amino]méthyl}-1,8-dihydroxy-6-méthoxy-9,10-anthraquinone [French] [ACD/IUPAC Name]
9,10-Anthracenedione, 3-[[bis(2-chloroethyl)amino]methyl]-1,8-dihydroxy-6-methoxy- [ACD/Index Name]
3-{[Bis-(2-chloro-ethyl)-amino]-methyl}-1,8-dihydroxy-6-methoxy-anthraquinone

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

Density: 1.5±0.1 g/cm3
Boiling Point: 586.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 308.2±30.1 °C
Index of Refraction: 1.645
Molar Refractivity: 106.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.43
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 824.46
ACD/KOC (pH 5.5): 3650.28
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 10.07
ACD/KOC (pH 7.4): 44.59
Polar Surface Area: 87 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 64.0±3.0 dyne/cm
Molar Volume: 292.3±3.0 cm3

Click to predict properties on the Chemicalize site


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