ChemSpider 2D Image | N-(trans-4-Aminocyclohexyl)-3,5-bis(4-carbamimidoylphenoxy)benzamide | C27H30N6O3

N-(trans-4-Aminocyclohexyl)-3,5-bis(4-carbamimidoylphenoxy)benzamide

  • Molecular FormulaC27H30N6O3
  • Average mass486.565 Da
  • Monoisotopic mass486.237946 Da
  • ChemSpider ID34220180

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Benzamide, N-(trans-4-aminocyclohexyl)-3,5-bis[4-(aminoiminomethyl)phenoxy]- [ACD/Index Name]
N-(trans-4-Aminocyclohexyl)-3,5-bis(4-carbamimidoylphenoxy)benzamid [German] [ACD/IUPAC Name]
N-(trans-4-Aminocyclohexyl)-3,5-bis(4-carbamimidoylphenoxy)benzamide [ACD/IUPAC Name]
N-(trans-4-Aminocyclohexyl)-3,5-bis(4-carbamimidoylphénoxy)benzamide [French] [ACD/IUPAC Name]
NT4

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.681
Molar Refractivity: 133.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.36
ACD/LogD (pH 5.5): -3.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 173 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 59.7±7.0 dyne/cm
Molar Volume: 351.5±7.0 cm3

Click to predict properties on the Chemicalize site


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