ChemSpider 2D Image | 4-(4-Carbamoylphenyl)-N,N-bis(2-hydroxy-2-phenylethyl)-2-butanaminium | C27H33N2O3

4-(4-Carbamoylphenyl)-N,N-bis(2-hydroxy-2-phenylethyl)-2-butanaminium

  • Molecular FormulaC27H33N2O3
  • Average mass433.562 Da
  • Monoisotopic mass433.248566 Da
  • ChemSpider ID21225232
  • Charge - Charge


More details:






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

4-(4-Carbamoylphenyl)-N,N-bis(2-hydroxy-2-phenylethyl)-2-butanaminium [ACD/IUPAC Name]
4-(4-Carbamoylphenyl)-N,N-bis(2-hydroxy-2-phenylethyl)-2-butanaminium [German] [ACD/IUPAC Name]
4-(4-Carbamoylphényl)-N,N-bis(2-hydroxy-2-phényléthyl)-2-butanaminium [French] [ACD/IUPAC Name]
Benzenepropanaminium, 4-(aminocarbonyl)-N,N-bis(2-hydroxy-2-phenylethyl)-α-methyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: 658.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 351.7±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 1.61
ACD/KOC (pH 5.5): 12.13
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 75.59
ACD/KOC (pH 7.4): 568.47
Polar Surface Area: 88 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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