ChemSpider 2D Image | 2-[(2-Hydroxyethyl)amino]-4-oxo-4-propoxybutanoic acid (non-preferred name) | C9H17NO5

2-[(2-Hydroxyethyl)amino]-4-oxo-4-propoxybutanoic acid (non-preferred name)

  • Molecular FormulaC9H17NO5
  • Average mass219.235 Da
  • Monoisotopic mass219.110672 Da
  • ChemSpider ID76594679

More details:

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

2-[(2-Hydroxyethyl)amino]-4-oxo-4-propoxybutanoic acid (non-preferred name) [ACD/IUPAC Name]
2-[(2-Hydroxyethyl)amino]-4-oxo-4-propoxybutansäure (non-preferred name) [German] [ACD/IUPAC Name]
Acide 2-[(2-hydroxyéthyl)amino]-4-oxo-4-propoxybutanoïque (non-preferred name) [French] [ACD/IUPAC Name]
Aspartic acid, N-(2-hydroxyethyl)-, 4-propyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 407.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.3±6.0 kJ/mol
Flash Point: 200.5±28.7 °C
Index of Refraction: 1.485
Molar Refractivity: 52.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 0.77
ACD/LogD (pH 5.5): -1.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 181.9±3.0 cm3

Click to predict properties on the Chemicalize site


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