ChemSpider 2D Image | (2R,2'R)-3,3'-Disulfanediylbis[2-amino-1-(4-methyl-1-piperazinyl)-1-propanone] | C16H32N6O2S2

(2R,2'R)-3,3'-Disulfanediylbis[2-amino-1-(4-methyl-1-piperazinyl)-1-propanone]

  • Molecular FormulaC16H32N6O2S2
  • Average mass404.594 Da
  • Monoisotopic mass404.202820 Da
  • ChemSpider ID81368174

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,2'R)-3,3'-Disulfandiylbis[2-amino-1-(4-methyl-1-piperazinyl)-1-propanon] [German] [ACD/IUPAC Name]
(2R,2'R)-3,3'-Disulfanediylbis[2-amino-1-(4-methyl-1-piperazinyl)-1-propanone] [ACD/IUPAC Name]
(2R,2'R)-3,3'-Disulfanediylbis[2-amino-1-(4-méthyl-1-pipérazinyl)-1-propanone] [French] [ACD/IUPAC Name]
1-Propanone, 3,3'-dithiobis[2-amino-1-(4-methyl-1-piperazinyl)-, (2R,2'R)- [ACD/Index Name]
1616758-14-5 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 594.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 313.2±30.1 °C
Index of Refraction: 1.598
Molar Refractivity: 109.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.03
ACD/LogD (pH 5.5): -4.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.91
Polar Surface Area: 150 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 59.1±3.0 dyne/cm
Molar Volume: 320.2±3.0 cm3

Click to predict properties on the Chemicalize site


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