ChemSpider 2D Image | 4-[1-Hydroxy-2-({2-methyl-1-[(phenoxyacetyl)amino]-2-propanyl}amino)ethyl]-1,2-phenylene bis(2,2-dimethylpropanoate) | C30H42N2O7

4-[1-Hydroxy-2-({2-methyl-1-[(phenoxyacetyl)amino]-2-propanyl}amino)ethyl]-1,2-phenylene bis(2,2-dimethylpropanoate)

  • Molecular FormulaC30H42N2O7
  • Average mass542.664 Da
  • Monoisotopic mass542.299194 Da
  • ChemSpider ID111776

More details:

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

4-[1-Hydroxy-2-({2-methyl-1-[(phenoxyacetyl)amino]-2-propanyl}amino)ethyl]-1,2-phenylen-bis(2,2-dimethylpropanoat) [German] [ACD/IUPAC Name]
4-[1-Hydroxy-2-({2-methyl-1-[(phenoxyacetyl)amino]-2-propanyl}amino)ethyl]-1,2-phenylene bis(2,2-dimethylpropanoate) [ACD/IUPAC Name]
Bis(2,2-diméthylpropanoate) de 4-[1-hydroxy-2-({2-méthyl-1-[(2-phénoxyacétyl)amino]-2-propanyl}amino)éthyl]-1,2-phénylène [French] [ACD/IUPAC Name]
Propanoic acid, 2,2-dimethyl-, 4-[2-[[1,1-dimethyl-2-[(2-phenoxyacetyl)amino]ethyl]amino]-1-hydroxyethyl]-1,2-phenylene ester [ACD/Index Name]
4-[1-HYDROXY-2-({2-METHYL-1-[(PHENOXYACETYL)AMINO]PROPAN-2-YL}AMINO)ETHYL]BENZENE-1,2-DIYL BIS(2,2-DIMETHYLPROPANOATE)
67631-88-3 [RN]
6829-91-0 [RN]
Ici 125,436
Propanoic acid, 2,2-dimethyl-, 4-(2-((1,1-dimethyl-2-((phenoxyacetyl)amino)ethyl)amino)-1-hydroxyethyl)-1,2-phenylene ester

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

Ici 125436 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 702.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 378.7±32.9 °C
Index of Refraction: 1.537
Molar Refractivity: 149.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 4.02
ACD/KOC (pH 5.5): 19.95
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 205.15
ACD/KOC (pH 7.4): 1017.37
Polar Surface Area: 123 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 477.1±3.0 cm3

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