ChemSpider 2D Image | [trans-4-({4-[3-(Benzyloxy)-3-oxopropyl]phenoxy}carbonyl)cyclohexyl]methanaminium | C24H30NO4

[trans-4-({4-[3-(Benzyloxy)-3-oxopropyl]phenoxy}carbonyl)cyclohexyl]methanaminium

  • Molecular FormulaC24H30NO4
  • Average mass396.499 Da
  • Monoisotopic mass396.216949 Da
  • ChemSpider ID26330917

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[trans-4-({4-[3-(Benzyloxy)-3-oxopropyl]phenoxy}carbonyl)cyclohexyl]methanaminium [German] [ACD/IUPAC Name]
[trans-4-({4-[3-(Benzyloxy)-3-oxopropyl]phenoxy}carbonyl)cyclohexyl]methanaminium [ACD/IUPAC Name]
[trans-4-({4-[3-(Benzyloxy)-3-oxopropyl]phénoxy}carbonyl)cyclohexyl]méthanaminium [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 4-[[[trans-4-(aminomethyl)cyclohexyl]carbonyl]oxy]-, phenylmethyl ester, conjugate acid [ACD/Index Name]
[(1r,4r)-4-({4-[3-(benzyloxy)-3-oxopropyl]phenoxy}carbonyl)cyclohexyl]methanaminium
benzyl cetraxate
benzyl cetraxate cation
benzyl cetraxate(1+)

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

Density:
Boiling Point: 536.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.4±3.0 kJ/mol
Flash Point: 174.9±22.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.26
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.96
Polar Surface Area: 80 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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