ChemSpider 2D Image | {1-[3-(Diethylammonio)propyl]-2-[4-(2-methyl-2-propanyl)phenyl]-4,5-dioxo-3-pyrrolidinylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate | C30H41N3O5

{1-[3-(Diethylammonio)propyl]-2-[4-(2-methyl-2-propanyl)phenyl]-4,5-dioxo-3-pyrrolidinylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate

  • Molecular FormulaC30H41N3O5
  • Average mass523.664 Da
  • Monoisotopic mass523.304626 Da
  • ChemSpider ID2572430

More details:

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

{1-[3-(Diethylammonio)propyl]-2-[4-(2-methyl-2-propanyl)phenyl]-4,5-dioxo-3-pyrrolidinyliden}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolat [German] [ACD/IUPAC Name]
{1-[3-(Diethylammonio)propyl]-2-[4-(2-methyl-2-propanyl)phenyl]-4,5-dioxo-3-pyrrolidinylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate [ACD/IUPAC Name]
{1-[3-(Diéthylammonio)propyl]-2-[4-(2-méthyl-2-propanyl)phényl]-4,5-dioxo-3-pyrrolidinylidène}[5-(méthoxycarbonyl)-2,4-diméthyl-1H-pyrrol-3-yl]méthanolate [French] [ACD/IUPAC Name]
1-Pyrrolidinepropanaminium, 2-[4-(1,1-dimethylethyl)phenyl]-N,N-diethyl-3-[hydroxy[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methylene]-4,5-dioxo-, inner salt [ACD/Index Name]

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

Density:
Boiling Point: 670.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.5±3.0 kJ/mol
Flash Point: 359.1±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.07
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 3.60
ACD/KOC (pH 5.5): 11.58
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 12.31
ACD/KOC (pH 7.4): 39.59
Polar Surface Area: 107 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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