ChemSpider 2D Image | 4-[2-({2-[(4-Chlorobenzoyl)amino]ethyl}amino)-1-hydroxyethyl]-1,2-phenylene bis(2,2-dimethylpropanoate) | C27H35ClN2O6

4-[2-({2-[(4-Chlorobenzoyl)amino]ethyl}amino)-1-hydroxyethyl]-1,2-phenylene bis(2,2-dimethylpropanoate)

  • Molecular FormulaC27H35ClN2O6
  • Average mass519.030 Da
  • Monoisotopic mass518.218384 Da
  • ChemSpider ID113651

More details:

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

4-[2-({2-[(4-Chlorbenzoyl)amino]ethyl}amino)-1-hydroxyethyl]-1,2-phenylen-bis(2,2-dimethylpropanoat) [German] [ACD/IUPAC Name]
4-[2-({2-[(4-Chlorobenzoyl)amino]ethyl}amino)-1-hydroxyethyl]-1,2-phenylene bis(2,2-dimethylpropanoate) [ACD/IUPAC Name]
Bis(2,2-diméthylpropanoate) de 4-[2-({2-[(4-chlorobenzoyl)amino]éthyl}amino)-1-hydroxyéthyl]-1,2-phénylène [French] [ACD/IUPAC Name]
Propanoic acid, 2,2-dimethyl-, 4-[2-[[2-[(4-chlorobenzoyl)amino]ethyl]amino]-1-hydroxyethyl]-1,2-phenylene ester [ACD/Index Name]
102904-11-0 [RN]
Ici 116,258
Propanoic acid, 2,2-dimethyl-, 4-(2-((2-((4-chlorobenzoyl)amino)ethyl)amino)-1-hydroxyethyl)-1,2-phenylene ester
PROPANOIC ACID,2,2-DIMETHYL-,4-[2-[[2-[(4-CHLOROBENZOYL)AMINO]ETHYL]AMINO]-1-HYDROXYETHYL]-1,2-PHENYLENEESTER (9CI)

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

Ici 116258 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 684.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 367.9±31.5 °C
Index of Refraction: 1.553
Molar Refractivity: 138.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 3.20
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.13
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 46.10
ACD/KOC (pH 7.4): 288.67
Polar Surface Area: 114 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 433.4±3.0 cm3

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