Found 1074 results

Search term: MF = 'C_{23}H_{39}N_{3}O_{4}'
ChemSpider 2D Image | trans-4-({4-[3-(4-Ethyl-1-piperazinyl)-2-hydroxypropoxy]-3-methoxybenzyl}amino)cyclohexanol | C23H39N3O4

trans-4-({4-[3-(4-Ethyl-1-piperazinyl)-2-hydroxypropoxy]-3-methoxybenzyl}amino)cyclohexanol

  • Molecular FormulaC23H39N3O4
  • Average mass421.573 Da
  • Monoisotopic mass421.294067 Da
  • ChemSpider ID23058736

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

1-Piperazineethanol, 4-ethyl-α-[[4-[[(trans-4-hydroxycyclohexyl)amino]methyl]-2-methoxyphenoxy]methyl]- [ACD/Index Name]
trans-4-({4-[3-(4-Ethyl-1-piperazinyl)-2-hydroxypropoxy]-3-methoxybenzyl}amino)cyclohexanol [ACD/IUPAC Name]
trans-4-({4-[3-(4-Ethyl-1-piperazinyl)-2-hydroxypropoxy]-3-methoxybenzyl}amino)cyclohexanol [German] [ACD/IUPAC Name]
trans-4-({4-[3-(4-Éthyl-1-pipérazinyl)-2-hydroxypropoxy]-3-méthoxybenzyl}amino)cyclohexanol [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 598.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.7±3.0 kJ/mol
Flash Point: 315.8±30.1 °C
Index of Refraction: 1.580
Molar Refractivity: 119.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 1.16
ACD/LogD (pH 5.5): -2.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 77 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 54.1±5.0 dyne/cm
Molar Volume: 358.3±5.0 cm3

Click to predict properties on the Chemicalize site


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