ChemSpider 2D Image | (3R,6R,3'R,6'R)-3,3'-[1,4-Phenylenebis(methylene)]bis[6-(chloromethyl)-1,4-dimethyl-2,5-piperazinedione] | C22H28Cl2N4O4

(3R,6R,3'R,6'R)-3,3'-[1,4-Phenylenebis(methylene)]bis[6-(chloromethyl)-1,4-dimethyl-2,5-piperazinedione]

  • Molecular FormulaC22H28Cl2N4O4
  • Average mass483.388 Da
  • Monoisotopic mass482.148773 Da
  • ChemSpider ID24726472

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3R,6R,3'R,6'R)-3,3'-(1,4-Phenylendimethylen)bis[6-(chlormethyl)-1,4-dimethyl-2,5-piperazindion] [German] [ACD/IUPAC Name]
(3R,6R,3'R,6'R)-3,3'-(1,4-Phénylènediméthylène)bis[6-(chlorométhyl)-1,4-diméthyl-2,5-pipérazinedione] [French] [ACD/IUPAC Name]
(3R,6R,3'R,6'R)-3,3'-[1,4-Phenylenebis(methylene)]bis[6-(chloromethyl)-1,4-dimethyl-2,5-piperazinedione] [ACD/IUPAC Name]
2,5-Piperazinedione, 3,3'-[1,4-phenylenebis(methylene)]bis[6-(chloromethyl)-1,4-dimethyl-, (3R,6R,3'R,6'R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 757.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.3±3.0 kJ/mol
Flash Point: 411.8±32.9 °C
Index of Refraction: 1.562
Molar Refractivity: 121.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.03
ACD/LogD (pH 5.5): 0.74
ACD/BCF (pH 5.5): 2.16
ACD/KOC (pH 5.5): 60.50
ACD/LogD (pH 7.4): 0.74
ACD/BCF (pH 7.4): 2.16
ACD/KOC (pH 7.4): 60.50
Polar Surface Area: 81 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 375.2±3.0 cm3

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