ChemSpider 2D Image | 1-{3-[(1,4-Dithiepan-6-ylamino)methyl]-2-pyridinyl}-3-piperidinol | C16H25N3OS2

1-{3-[(1,4-Dithiepan-6-ylamino)methyl]-2-pyridinyl}-3-piperidinol

  • Molecular FormulaC16H25N3OS2
  • Average mass339.519 Da
  • Monoisotopic mass339.143890 Da
  • ChemSpider ID22520654

More details:

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

1-{3-[(1,4-Dithiepan-6-ylamino)methyl]-2-pyridinyl}-3-piperidinol [ACD/IUPAC Name]
1-{3-[(1,4-Dithiepan-6-ylamino)methyl]-2-pyridinyl}-3-piperidinol [German] [ACD/IUPAC Name]
1-{3-[(1,4-Dithiépan-6-ylamino)méthyl]-2-pyridinyl}-3-pipéridinol [French] [ACD/IUPAC Name]
3-Piperidinol, 1-[3-[(1,4-dithiepan-6-ylamino)methyl]-2-pyridinyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 566.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 296.5±30.1 °C
Index of Refraction: 1.645
Molar Refractivity: 96.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.76
ACD/LogD (pH 5.5): -0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.70
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 6.04
ACD/KOC (pH 7.4): 95.37
Polar Surface Area: 99 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 63.8±5.0 dyne/cm
Molar Volume: 265.9±5.0 cm3

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