ChemSpider 2D Image | N-(1,4,5,6-Tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)-1,4-dithiepan-6-amine | C12H19N3S2

N-(1,4,5,6-Tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)-1,4-dithiepan-6-amine

  • Molecular FormulaC12H19N3S2
  • Average mass269.429 Da
  • Monoisotopic mass269.102051 Da
  • ChemSpider ID29592225

More details:

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

Cyclopenta[c]pyrazole-3-methanamine, N-1,4-dithiepan-6-yl-1,4,5,6-tetrahydro- [ACD/Index Name]
N-(1,4,5,6-Tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)-1,4-dithiepan-6-amin [German] [ACD/IUPAC Name]
N-(1,4,5,6-Tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)-1,4-dithiepan-6-amine [ACD/IUPAC Name]
N-(1,4,5,6-Tétrahydrocyclopenta[c]pyrazol-3-ylméthyl)-1,4-dithiépan-6-amine [French] [ACD/IUPAC Name]
1,4-dithiepan-6-yl(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)amine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 501.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.0±3.0 kJ/mol
Flash Point: 257.1±30.1 °C
Index of Refraction: 1.647
Molar Refractivity: 75.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.88
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 4.33
ACD/KOC (pH 5.5): 46.28
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 54.19
ACD/KOC (pH 7.4): 579.33
Polar Surface Area: 91 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 64.3±5.0 dyne/cm
Molar Volume: 208.2±5.0 cm3

Click to predict properties on the Chemicalize site


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