ChemSpider 2D Image | N-(trans-4-Aminocyclohexyl)-3,5-bis[(3-carbamimidoylbenzyl)oxy]benzamide | C29H34N6O3

N-(trans-4-Aminocyclohexyl)-3,5-bis[(3-carbamimidoylbenzyl)oxy]benzamide

  • Molecular FormulaC29H34N6O3
  • Average mass514.619 Da
  • Monoisotopic mass514.269226 Da
  • ChemSpider ID34216694

  • 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[[3-(aminoiminomethyl)phenyl]methoxy]- [ACD/Index Name]
N-(trans-4-Aminocyclohexyl)-3,5-bis[(3-carbamimidoylbenzyl)oxy]benzamid [German] [ACD/IUPAC Name]
N-(trans-4-Aminocyclohexyl)-3,5-bis[(3-carbamimidoylbenzyl)oxy]benzamide [ACD/IUPAC Name]
N-(trans-4-Aminocyclohexyl)-3,5-bis[(3-carbamimidoylbenzyl)oxy]benzamide [French] [ACD/IUPAC Name]
NTX

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.664
Molar Refractivity: 142.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 0.59
ACD/LogD (pH 5.5): -3.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 173 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 57.1±7.0 dyne/cm
Molar Volume: 383.6±7.0 cm3

Click to predict properties on the Chemicalize site


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