ChemSpider 2D Image | [1-(Carboxymethyl)-1H-indol-3-yl]{4-[2-(2-hydroxyethoxy)ethyl]-1-piperazinyl}acetic acid | C20H27N3O6

[1-(Carboxymethyl)-1H-indol-3-yl]{4-[2-(2-hydroxyethoxy)ethyl]-1-piperazinyl}acetic acid

  • Molecular FormulaC20H27N3O6
  • Average mass405.445 Da
  • Monoisotopic mass405.189972 Da
  • ChemSpider ID23488069

More details:






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

[1-(Carboxymethyl)-1H-indol-3-yl]{4-[2-(2-hydroxyethoxy)ethyl]-1-piperazinyl}acetic acid [ACD/IUPAC Name]
[1-(Carboxymethyl)-1H-indol-3-yl]{4-[2-(2-hydroxyethoxy)ethyl]-1-piperazinyl}essigsäure [German] [ACD/IUPAC Name]
1H-Indole-1,3-diacetic acid, α3-[4-[2-(2-hydroxyethoxy)ethyl]-1-piperazinyl]- [ACD/Index Name]
Acide [1-(carboxyméthyl)-1H-indol-3-yl]{4-[2-(2-hydroxyéthoxy)éthyl]-1-pipérazinyl}acétique [French] [ACD/IUPAC Name]
(1-Carboxymethyl-1H-indol-3-yl)-{4-[2-(2-hydroxy-ethoxy)-ethyl]-piperazin-1-yl}-acetic acid
[1-(carboxymethyl)-1H-indol-3-yl]{4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl}acetic acid
1214654-14-4 [RN]
2-(1-(carboxymethyl)-1H-indol-3-yl)-2-(4-(2-(2-hydroxyethoxy)ethyl)piperazin-1-yl)acetic acid
2-[1-(carboxymethyl)indol-3-yl]-2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]acetic acid
C20H27N3O6

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

Density: 1.4±0.1 g/cm3
Boiling Point: 656.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.6±3.0 kJ/mol
Flash Point: 350.8±31.5 °C
Index of Refraction: 1.630
Molar Refractivity: 104.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: -0.16
ACD/LogD (pH 5.5): -2.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 115 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 58.1±7.0 dyne/cm
Molar Volume: 294.1±7.0 cm3

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