ChemSpider 2D Image | (2S,2'S)-N~1~,N~1~'-1,3-Propanediylbis(3-methyl-1,2-butanediamine) | C13H32N4

(2S,2'S)-N1,N1'-1,3-Propanediylbis(3-methyl-1,2-butanediamine)

  • Molecular FormulaC13H32N4
  • Average mass244.420 Da
  • Monoisotopic mass244.262695 Da
  • ChemSpider ID30905907

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,2'S)-N1,N1'-1,3-Propandiylbis(3-methyl-1,2-butandiamin) [German] [ACD/IUPAC Name]
(2S,2'S)-N1,N1'-1,3-Propanediylbis(3-methyl-1,2-butanediamine) [ACD/IUPAC Name]
(2S,2'S)-N1,N1'-1,3-Propanediylbis(3-méthyl-1,2-butanediamine) [French] [ACD/IUPAC Name]
1,2-Butanediamine, N1,N1'-1,3-propanediylbis[3-methyl-, (2S,2'S)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 337.3±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.1±3.0 kJ/mol
Flash Point: 185.0±22.6 °C
Index of Refraction: 1.478
Molar Refractivity: 76.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 0.46
ACD/LogD (pH 5.5): -5.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 269.6±3.0 cm3

Click to predict properties on the Chemicalize site


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