ChemSpider 2D Image | N-(1,4,5,6,7,8-Hexahydrocyclohepta[c]pyrazol-3-ylmethyl)-1,4-dithiepan-6-amine | C14H23N3S2

N-(1,4,5,6,7,8-Hexahydrocyclohepta[c]pyrazol-3-ylmethyl)-1,4-dithiepan-6-amine

  • Molecular FormulaC14H23N3S2
  • Average mass297.483 Da
  • Monoisotopic mass297.133331 Da
  • ChemSpider ID29566640

More details:

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

Cyclohepta[c]pyrazole-3-methanamine, N-1,4-dithiepan-6-yl-1,4,5,6,7,8-hexahydro- [ACD/Index Name]
N-(1,4,5,6,7,8-Hexahydrocyclohepta[c]pyrazol-3-ylmethyl)-1,4-dithiepan-6-amin [German] [ACD/IUPAC Name]
N-(1,4,5,6,7,8-Hexahydrocyclohepta[c]pyrazol-3-ylmethyl)-1,4-dithiepan-6-amine [ACD/IUPAC Name]
N-(1,4,5,6,7,8-Hexahydrocyclohepta[c]pyrazol-3-ylméthyl)-1,4-dithiépan-6-amine [French] [ACD/IUPAC Name]
1,4-dithiepan-6-yl(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethyl)amine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 527.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 272.8±30.1 °C
Index of Refraction: 1.624
Molar Refractivity: 85.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 5.93
ACD/KOC (pH 5.5): 59.54
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 68.73
ACD/KOC (pH 7.4): 689.55
Polar Surface Area: 91 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 59.8±5.0 dyne/cm
Molar Volume: 240.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement