ChemSpider 2D Image | 1-(2-Aminocyclohexyl)-3-cinchonan-9-ylthiourea | C26H35N5S

1-(2-Aminocyclohexyl)-3-cinchonan-9-ylthiourea

  • Molecular FormulaC26H35N5S
  • Average mass449.655 Da
  • Monoisotopic mass449.261322 Da
  • ChemSpider ID24608104

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

1-(2-Aminocyclohexyl)-3-cinchonan-9-ylthioharnstoff [German] [ACD/IUPAC Name]
1-(2-Aminocyclohexyl)-3-cinchonan-9-ylthiourea [ACD/IUPAC Name]
1-(2-Aminocyclohexyl)-3-cinchonan-9-ylthiourée [French] [ACD/IUPAC Name]
Thiourea, N-(2-aminocyclohexyl)-N'-cinchonan-9-yl- [ACD/Index Name]
1052184-40-3 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 608.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.4±3.0 kJ/mol
Flash Point: 321.8±34.3 °C
Index of Refraction: 1.666
Molar Refractivity: 136.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.48
ACD/LogD (pH 5.5): -0.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 98 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 63.2±5.0 dyne/cm
Molar Volume: 366.3±5.0 cm3

Click to predict properties on the Chemicalize site


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