ChemSpider 2D Image | 1-[(1R,2R)-2-Aminocyclohexyl]-3-[(9R)-6'-methoxycinchonan-9-yl]thiourea | C27H37N5OS

1-[(1R,2R)-2-Aminocyclohexyl]-3-[(9R)-6'-methoxycinchonan-9-yl]thiourea

  • Molecular FormulaC27H37N5OS
  • Average mass479.681 Da
  • Monoisotopic mass479.271881 Da
  • ChemSpider ID24608105

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

1-[(1R,2R)-2-Aminocyclohexyl]-3-[(9R)-6'-methoxycinchonan-9-yl]thioharnstoff [German] [ACD/IUPAC Name]
1-[(1R,2R)-2-Aminocyclohexyl]-3-[(9R)-6'-methoxycinchonan-9-yl]thiourea [ACD/IUPAC Name]
1-[(1R,2R)-2-Aminocyclohexyl]-3-[(9R)-6'-méthoxycinchonan-9-yl]thiourée [French] [ACD/IUPAC Name]
Thiourea, N-[(1R,2R)-2-aminocyclohexyl]-N'-[(9R)-6'-methoxycinchonan-9-yl]- [ACD/Index Name]
1052187-54-8 [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: 634.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 337.5±34.3 °C
Index of Refraction: 1.657
Molar Refractivity: 142.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.57
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): -0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 108 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 62.7±5.0 dyne/cm
Molar Volume: 387.9±5.0 cm3

Click to predict properties on the Chemicalize site


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