ChemSpider 2D Image | (1s,3s,5s)-1,3,5-Cyclohexanetricarboxamide | C9H15N3O3

(1s,3s,5s)-1,3,5-Cyclohexanetricarboxamide

  • Molecular FormulaC9H15N3O3
  • Average mass213.234 Da
  • Monoisotopic mass213.111343 Da
  • ChemSpider ID75142311

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1s,3s,5s)-1,3,5-Cyclohexanetricarboxamide [ACD/IUPAC Name]
(1s,3s,5s)-1,3,5-Cyclohexanetricarboxamide [French] [ACD/IUPAC Name]
(1s,3s,5s)-1,3,5-Cyclohexantricarboxamid [German] [ACD/IUPAC Name]
1,3,5-Cyclohexanetricarboxamide, (1α,3α,5α)- [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: 657.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 351.6±31.5 °C
Index of Refraction: 1.556
Molar Refractivity: 52.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -3.40
ACD/LogD (pH 5.5): -2.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.47
ACD/LogD (pH 7.4): -2.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.47
Polar Surface Area: 129 Å2
Polarizability: 20.6±0.5 10-24cm3
Surface Tension: 65.2±3.0 dyne/cm
Molar Volume: 161.7±3.0 cm3

Click to predict properties on the Chemicalize site


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