ChemSpider 2D Image | N-[(2R,3E)-3-(Hydroxyimino)-2-butanyl]-N'-[(2S,3E)-3-(hydroxyimino)-2-butanyl]-2,2-dimethyl-1,3-propanediamine | C13H28N4O2

N-[(2R,3E)-3-(Hydroxyimino)-2-butanyl]-N'-[(2S,3E)-3-(hydroxyimino)-2-butanyl]-2,2-dimethyl-1,3-propanediamine

  • Molecular FormulaC13H28N4O2
  • Average mass272.387 Da
  • Monoisotopic mass272.221222 Da
  • ChemSpider ID114936804

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Butanone, 3,3'-[(2,2-dimethyl-1,3-propanediyl)diimino]bis-, dioxime, (2E,3S,2'E,3'R)- [ACD/Index Name]
N-[(2R,3E)-3-(Hydroxyimino)-2-butanyl]-N'-[(2S,3E)-3-(hydroxyimino)-2-butanyl]-2,2-dimethyl-1,3-propandiamin [German] [ACD/IUPAC Name]
N-[(2R,3E)-3-(Hydroxyimino)-2-butanyl]-N'-[(2S,3E)-3-(hydroxyimino)-2-butanyl]-2,2-dimethyl-1,3-propanediamine [ACD/IUPAC Name]
N-[(2R,3E)-3-(Hydroxyimino)-2-butanyl]-N'-[(2S,3E)-3-(hydroxyimino)-2-butanyl]-2,2-diméthyl-1,3-propanediamine [French] [ACD/IUPAC Name]
105613-48-7 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 433.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 75.5±6.0 kJ/mol
Flash Point: 215.7±27.3 °C
Index of Refraction: 1.505
Molar Refractivity: 75.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.93
ACD/LogD (pH 5.5): -2.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.31
Polar Surface Area: 89 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 33.9±7.0 dyne/cm
Molar Volume: 255.5±7.0 cm3

Click to predict properties on the Chemicalize site


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