ChemSpider 2D Image | trans-4-(1-Aminoethyl)-N-(4(1H)-pyridinylidene)cyclohexanecarboxamide | C14H21N3O

trans-4-(1-Aminoethyl)-N-(4(1H)-pyridinylidene)cyclohexanecarboxamide

  • Molecular FormulaC14H21N3O
  • Average mass247.336 Da
  • Monoisotopic mass247.168457 Da
  • ChemSpider ID57262058

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

Cyclohexanecarboxamide, 4-(1-aminoethyl)-N-4(1H)-pyridinylidene-, trans- [ACD/Index Name]
trans-4-(1-Aminoethyl)-N-(4(1H)-pyridinyliden)cyclohexancarboxamid [German] [ACD/IUPAC Name]
trans-4-(1-Aminoethyl)-N-(4(1H)-pyridinylidene)cyclohexanecarboxamide [ACD/IUPAC Name]
trans-4-(1-Aminoéthyl)-N-(4(1H)-pyridinylidène)cyclohexanecarboxamide [French] [ACD/IUPAC Name]
129758-26-5 [RN]
RHO KINASE INHIBITOR
Trans-4-(1-aminoethyl)-N-(pyridin-4-yl)cyclohexanecarboxamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 382.0±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.0±3.0 kJ/mol
Flash Point: 184.8±30.7 °C
Index of Refraction: 1.611
Molar Refractivity: 70.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.07
ACD/LogD (pH 5.5): -3.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 67 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 46.0±7.0 dyne/cm
Molar Volume: 203.6±7.0 cm3

Click to predict properties on the Chemicalize site


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