ChemSpider 2D Image | N-(1,4-Dithiepan-6-yl)-N'-(5-methyl-2-pyridinyl)-1,3-propanediamine | C14H23N3S2

N-(1,4-Dithiepan-6-yl)-N'-(5-methyl-2-pyridinyl)-1,3-propanediamine

  • Molecular FormulaC14H23N3S2
  • Average mass297.483 Da
  • Monoisotopic mass297.133331 Da
  • ChemSpider ID62763916

More details:

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

1,3-Propanediamine, N1-1,4-dithiepan-6-yl-N3-(5-methyl-2-pyridinyl)- [ACD/Index Name]
N-(1,4-Dithiepan-6-yl)-N'-(5-methyl-2-pyridinyl)-1,3-propandiamin [German] [ACD/IUPAC Name]
N-(1,4-Dithiepan-6-yl)-N'-(5-methyl-2-pyridinyl)-1,3-propanediamine [ACD/IUPAC Name]
N-(1,4-Dithiépan-6-yl)-N'-(5-méthyl-2-pyridinyl)-1,3-propanediamine [French] [ACD/IUPAC Name]
N-1,4-dithiepan-6-yl-N'-(5-methylpyridin-2-yl)propane-1,3-diamine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 505.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.6±3.0 kJ/mol
Flash Point: 259.7±30.1 °C
Index of Refraction: 1.601
Molar Refractivity: 87.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.26
ACD/LogD (pH 5.5): -0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 5.89
ACD/KOC (pH 7.4): 55.24
Polar Surface Area: 88 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 52.6±5.0 dyne/cm
Molar Volume: 255.4±5.0 cm3

Click to predict properties on the Chemicalize site


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