ChemSpider 2D Image | 2-{[1,3-Dihydroxy-1-(4-nitrophenyl)-2-propanyl]carbamoyl}-1-methyl-4-propylpyrrolidinium | C18H28N3O5

2-{[1,3-Dihydroxy-1-(4-nitrophenyl)-2-propanyl]carbamoyl}-1-methyl-4-propylpyrrolidinium

  • Molecular FormulaC18H28N3O5
  • Average mass366.431 Da
  • Monoisotopic mass366.202362 Da
  • ChemSpider ID21214248

  • Charge - Charge

More details:

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

2-{[1,3-Dihydroxy-1-(4-nitrophenyl)-2-propanyl]carbamoyl}-1-methyl-4-propylpyrrolidinium [ACD/IUPAC Name]
2-{[1,3-Dihydroxy-1-(4-nitrophenyl)-2-propanyl]carbamoyl}-1-methyl-4-propylpyrrolidinium [German] [ACD/IUPAC Name]
2-{[1,3-Dihydroxy-1-(4-nitrophényl)-2-propanyl]carbamoyl}-1-méthyl-4-propylpyrrolidinium [French] [ACD/IUPAC Name]
Pyrrolidinium, 2-[[[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]amino]carbonyl]-1-methyl-4-propyl- [ACD/Index Name]

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

Density:
Boiling Point: 616.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 326.6±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.74
ACD/LogD (pH 5.5): -0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 7.4): 1.12
ACD/KOC (pH 7.4): 19.04
Polar Surface Area: 120 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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