ChemSpider 2D Image | N-(1,4-Dithiepan-6-yl)-N'-(3-pyridinyl)-1,2-ethanediamine | C12H19N3S2

N-(1,4-Dithiepan-6-yl)-N'-(3-pyridinyl)-1,2-ethanediamine

  • Molecular FormulaC12H19N3S2
  • Average mass269.429 Da
  • Monoisotopic mass269.102051 Da
  • ChemSpider ID29592216

More details:

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

1,2-Ethanediamine, N1-1,4-dithiepan-6-yl-N2-3-pyridinyl- [ACD/Index Name]
N-(1,4-Dithiepan-6-yl)-N'-(3-pyridinyl)-1,2-ethandiamin [German] [ACD/IUPAC Name]
N-(1,4-Dithiepan-6-yl)-N'-(3-pyridinyl)-1,2-ethanediamine [ACD/IUPAC Name]
N-(1,4-Dithiépan-6-yl)-N'-(3-pyridinyl)-1,2-éthanediamine [French] [ACD/IUPAC Name]
N-1,4-dithiepan-6-yl-N'-pyridin-3-ylethane-1,2-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: 496.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.5±3.0 kJ/mol
Flash Point: 254.3±28.7 °C
Index of Refraction: 1.618
Molar Refractivity: 78.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.03
ACD/LogD (pH 5.5): -0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 3.24
ACD/KOC (pH 7.4): 61.40
Polar Surface Area: 88 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 55.5±5.0 dyne/cm
Molar Volume: 223.2±5.0 cm3

Click to predict properties on the Chemicalize site


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